2-(3,5-dimethylpyrazol-1-yl)-6-(4-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine

C18H21N7O — CID 25074315

IUPAC2-(3,5-dimethylpyrazol-1-yl)-6-(4-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine
SMILESCc1cc(C)n(-c2nc(N)cc(-c3cc(N4CCOCC4)ccn3)n2)n1
InChIInChI=1S/C18H21N7O/c1-12-9-13(2)25(23-12)18-21-16(11-17(19)22-18)15-10-14(3-4-20-15)24-5-7-26-8-6-24/h3-4,9-11H,5-8H2,1-2H3,(H2,19,21,22)
InChIKeyIBCPSKNBZUSILB-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.76
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-6-(4-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine

2-(3,5-dimethylpyrazol-1-yl)-6-(4-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine (PubChem CID 25074315) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-6-(4-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-6-(4-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine
PubChem CID25074315
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-6-(4-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine
SMILESCc1cc(C)n(-c2nc(N)cc(-c3cc(N4CCOCC4)ccn3)n2)n1
InChIInChI=1S/C18H21N7O/c1-12-9-13(2)25(23-12)18-21-16(11-17(19)22-18)15-10-14(3-4-20-15)24-5-7-26-8-6-24/h3-4,9-11H,5-8H2,1-2H3,(H2,19,21,22)
InChIKeyIBCPSKNBZUSILB-UHFFFAOYSA-N
XLogP1.76
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-(4-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-(4-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine (CID 25074315) is 2-(3,5-dimethylpyrazol-1-yl)-6-(4-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-6-(4-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-6-(4-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine is Cc1cc(C)n(-c2nc(N)cc(-c3cc(N4CCOCC4)ccn3)n2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-6-(4-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine?
The InChIKey is IBCPSKNBZUSILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-12-9-13(2)25(23-12)18-21-16(11-17(19)22-18)15-10-14(3-4-20-15)24-5-7-26-8-6-24/h3-4,9-11H,5-8H2,1-2H3,(H2,19,21,22).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-6-(4-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine?
2-(3,5-dimethylpyrazol-1-yl)-6-(4-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine has a molecular weight of 351.41 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-6-(4-morpholin-4-yl-2-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 25074315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).