2-(6-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine

C20H21N5O2 — CID 117088664

IUPAC2-(6-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine
SMILESCOc1ccc(-c2nccc(Nc3ccc(N4CCOCC4)cc3)n2)cn1
InChIInChI=1S/C20H21N5O2/c1-26-19-7-2-15(14-22-19)20-21-9-8-18(24-20)23-16-3-5-17(6-4-16)25-10-12-27-13-11-25/h2-9,14H,10-13H2,1H3,(H,21,23,24)
InChIKeyCBESKROGAMRHOO-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.13
Rot. Bonds5

About 2-(6-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine

2-(6-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine (PubChem CID 117088664) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine
PubChem CID117088664
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-(6-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine
SMILESCOc1ccc(-c2nccc(Nc3ccc(N4CCOCC4)cc3)n2)cn1
InChIInChI=1S/C20H21N5O2/c1-26-19-7-2-15(14-22-19)20-21-9-8-18(24-20)23-16-3-5-17(6-4-16)25-10-12-27-13-11-25/h2-9,14H,10-13H2,1H3,(H,21,23,24)
InChIKeyCBESKROGAMRHOO-UHFFFAOYSA-N
XLogP3.13
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117089476
6-(6-amino-3-pyridinyl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507565
2-chloro-N-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 59198392
N-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112901738
3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 46331171
2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylpyridin-3-amine
CID 59631416
6-methoxy-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide
CID 134053283
4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 145490173
4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 123331778
2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine
CID 63179153
6-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidin-4-amine
CID 117085579
2-(3-aminophenyl)-6-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 117087554

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine (CID 117088664) is 2-(6-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine is COc1ccc(-c2nccc(Nc3ccc(N4CCOCC4)cc3)n2)cn1.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine?
The InChIKey is CBESKROGAMRHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-26-19-7-2-15(14-22-19)20-21-9-8-18(24-20)23-16-3-5-17(6-4-16)25-10-12-27-13-11-25/h2-9,14H,10-13H2,1H3,(H,21,23,24).
What are the key properties of 2-(6-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine?
2-(6-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine has a molecular weight of 363.42 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 117088664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).