2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-yl]acetamide

C38H44N14O3 — CID 157091852

IUPAC2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc(N3CCOCC3)n2)nc(-n2nc(C)cc2C)n1.Cc1cc(C)n(-c2nc(N)cc(-c3cccc(N4CCOCC4)n3)n2)n1
InChIInChI=1S/C20H23N7O2.C18H21N7O/c1-13-11-14(2)27(25-13)20-23-17(12-18(24-20)21-15(3)28)16-5-4-6-19(22-16)26-7-9-29-10-8-26;1-12-10-13(2)25(23-12)18-21-15(11-16(19)22-18)14-4-3-5-17(20-14)24-6-8-26-9-7-24/h4-6,11-12H,7-10H2,1-3H3,(H,21,23,24,28);3-5,10-11H,6-9H2,1-2H3,(H2,19,21,22)
InChIKeyAETHXWXRFJTNRA-UHFFFAOYSA-N
MW744.87 g/mol
LogP3.90
Rot. Bonds7

About 2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-yl]acetamide

2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-yl]acetamide (PubChem CID 157091852) has the molecular formula C38H44N14O3 and a molecular weight of 744.87 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-yl]acetamide
PubChem CID157091852
Molecular FormulaC38H44N14O3
Molecular Weight744.87 g/mol
Exact Mass744.37
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc(N3CCOCC3)n2)nc(-n2nc(C)cc2C)n1.Cc1cc(C)n(-c2nc(N)cc(-c3cccc(N4CCOCC4)n3)n2)n1
InChIInChI=1S/C20H23N7O2.C18H21N7O/c1-13-11-14(2)27(25-13)20-23-17(12-18(24-20)21-15(3)28)16-5-4-6-19(22-16)26-7-9-29-10-8-26;1-12-10-13(2)25(23-12)18-21-15(11-16(19)22-18)14-4-3-5-17(20-14)24-6-8-26-9-7-24/h4-6,11-12H,7-10H2,1-3H3,(H,21,23,24,28);3-5,10-11H,6-9H2,1-2H3,(H2,19,21,22)
InChIKeyAETHXWXRFJTNRA-UHFFFAOYSA-N
XLogP3.90
TPSA193.04 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.87
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-yl]acetamide with MolForge

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(morpholin-4-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25069914
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-{6-[(2-methoxyethyl)(methyl)amino]pyridin-2-yl}pyrimidin-4-yl]acetamide
CID 25074004
Acetamide, N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-methoxy-1-piperidinyl)-2-pyridinyl]-4-pyrimidinyl]-
CID 25074316
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(dimethylamino)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138086
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(pyrrolidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138087
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(piperidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138088
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138090
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(3-methoxyazetidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138091
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[4-(morpholin-4-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25069599
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(1,4-oxazepan-4-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138089
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-hydroxypiperidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138092
6-(aminomethyl)pyridin-2-amine;6-(aminomethyl)-1H-pyridin-2-one;(3,5-dimethylpyrazol-1-yl)methanamine;(3,5-dimethyl-1,2,4-triazol-1-yl)methanamine;(6-methyl-2-pyridinyl)methanamine;morpholin-3-ylmethanamine;piperidin-2-ylmethanamine;[6-(trifluoromethyl)-2-pyridinyl]methanamine
CID 161252414

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-yl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-yl]acetamide (CID 157091852) is 2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(-c2cccc(N3CCOCC3)n2)nc(-n2nc(C)cc2C)n1.Cc1cc(C)n(-c2nc(N)cc(-c3cccc(N4CCOCC4)n3)n2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-yl]acetamide?
The InChIKey is AETHXWXRFJTNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2.C18H21N7O/c1-13-11-14(2)27(25-13)20-23-17(12-18(24-20)21-15(3)28)16-5-4-6-19(22-16)26-7-9-29-10-8-26;1-12-10-13(2)25(23-12)18-21-15(11-16(19)22-18)14-4-3-5-17(20-14)24-6-8-26-9-7-24/h4-6,11-12H,7-10H2,1-3H3,(H,21,23,24,28);3-5,10-11H,6-9H2,1-2H3,(H2,19,21,22).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-yl]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-yl]acetamide has a molecular weight of 744.87 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 157091852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).