4-[5-[(4-methoxypyrimidin-2-yl)amino]-2-pyridinyl]piperazin-2-one

C14H16N6O2 — CID 78862709

IUPAC4-[5-[(4-methoxypyrimidin-2-yl)amino]-2-pyridinyl]piperazin-2-one
SMILESCOc1ccnc(Nc2ccc(N3CCNC(=O)C3)nc2)n1
InChIInChI=1S/C14H16N6O2/c1-22-13-4-5-16-14(19-13)18-10-2-3-11(17-8-10)20-7-6-15-12(21)9-20/h2-5,8H,6-7,9H2,1H3,(H,15,21)(H,16,18,19)
InChIKeyCCJWTFOECCCXNT-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.56
Rot. Bonds4

About 4-[5-[(4-methoxypyrimidin-2-yl)amino]-2-pyridinyl]piperazin-2-one

4-[5-[(4-methoxypyrimidin-2-yl)amino]-2-pyridinyl]piperazin-2-one (PubChem CID 78862709) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 4-[5-[(4-methoxypyrimidin-2-yl)amino]-2-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name4-[5-[(4-methoxypyrimidin-2-yl)amino]-2-pyridinyl]piperazin-2-one
PubChem CID78862709
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name4-[5-[(4-methoxypyrimidin-2-yl)amino]-2-pyridinyl]piperazin-2-one
SMILESCOc1ccnc(Nc2ccc(N3CCNC(=O)C3)nc2)n1
InChIInChI=1S/C14H16N6O2/c1-22-13-4-5-16-14(19-13)18-10-2-3-11(17-8-10)20-7-6-15-12(21)9-20/h2-5,8H,6-7,9H2,1H3,(H,15,21)(H,16,18,19)
InChIKeyCCJWTFOECCCXNT-UHFFFAOYSA-N
XLogP0.56
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 34599898
2-methoxy-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide
CID 38940028
4-(4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-amine
CID 56575278
3-(2-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]but-2-enamide
CID 72685110
4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one
CID 59019290
4-[2-(ethylamino)pyrimidin-4-yl]piperazin-2-one
CID 80764577
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38941036
4-bromo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38941033
4-[(4-methoxypyrimidin-2-yl)amino]benzoic acid
CID 43378936
4-N-(4-methoxypyrimidin-2-yl)benzene-1,4-diamine
CID 63214957
4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-2-one
CID 133488279
2-butylsulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 38939794

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-methoxypyrimidin-2-yl)amino]-2-pyridinyl]piperazin-2-one?
The IUPAC name of 4-[5-[(4-methoxypyrimidin-2-yl)amino]-2-pyridinyl]piperazin-2-one (CID 78862709) is 4-[5-[(4-methoxypyrimidin-2-yl)amino]-2-pyridinyl]piperazin-2-one.
What is the SMILES notation for 4-[5-[(4-methoxypyrimidin-2-yl)amino]-2-pyridinyl]piperazin-2-one?
The canonical SMILES for 4-[5-[(4-methoxypyrimidin-2-yl)amino]-2-pyridinyl]piperazin-2-one is COc1ccnc(Nc2ccc(N3CCNC(=O)C3)nc2)n1.
What is the InChIKey of 4-[5-[(4-methoxypyrimidin-2-yl)amino]-2-pyridinyl]piperazin-2-one?
The InChIKey is CCJWTFOECCCXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c1-22-13-4-5-16-14(19-13)18-10-2-3-11(17-8-10)20-7-6-15-12(21)9-20/h2-5,8H,6-7,9H2,1H3,(H,15,21)(H,16,18,19).
What are the key properties of 4-[5-[(4-methoxypyrimidin-2-yl)amino]-2-pyridinyl]piperazin-2-one?
4-[5-[(4-methoxypyrimidin-2-yl)amino]-2-pyridinyl]piperazin-2-one has a molecular weight of 300.32 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-methoxypyrimidin-2-yl)amino]-2-pyridinyl]piperazin-2-one is sourced from PubChem (CID 78862709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).