4-[2-(aminomethyl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one

C14H13N5O2 — CID 154079084

IUPAC4-[2-(aminomethyl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
SMILESNCc1ccccc1Nc1nc(=O)n(O)c2ncccc12
InChIInChI=1S/C14H13N5O2/c15-8-9-4-1-2-6-11(9)17-12-10-5-3-7-16-13(10)19(21)14(20)18-12/h1-7,21H,8,15H2,(H,17,18,20)
InChIKeyYHJBSZSVCAQUOA-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.23
Rot. Bonds3

About 4-[2-(aminomethyl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one

4-[2-(aminomethyl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one (PubChem CID 154079084) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-[2-(aminomethyl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
PubChem CID154079084
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name4-[2-(aminomethyl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
SMILESNCc1ccccc1Nc1nc(=O)n(O)c2ncccc12
InChIInChI=1S/C14H13N5O2/c15-8-9-4-1-2-6-11(9)17-12-10-5-3-7-16-13(10)19(21)14(20)18-12/h1-7,21H,8,15H2,(H,17,18,20)
InChIKeyYHJBSZSVCAQUOA-UHFFFAOYSA-N
XLogP1.23
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[4-(dimethylamino)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
CID 154079085
2-[2-(aminomethyl)anilino]pyridine-3-carboxamide
CID 55241412
1-hydroxy-4-[4-[4-(trifluoromethyl)phenyl]anilino]pyrido[2,3-d]pyrimidin-2-one
CID 154326729
1-hydroxy-4-(4-thiophen-2-ylanilino)pyrido[2,3-d]pyrimidin-2-one
CID 91664430
4-[4-(furan-2-yl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
CID 91664428
1-hydroxy-4-(thiophen-2-ylmethylamino)pyrido[2,3-d]pyrimidin-2-one;hydrobromide
CID 53257879
N-[2-(aminomethyl)phenyl]pyrimidin-2-amine
CID 63760524
1-hydroxy-4-(3-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-2-one
CID 67252249
4-[3-[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]benzonitrile
CID 67253258
1-hydroxy-4-[(3-pyridin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one
CID 67251968
4-[benzyl(methyl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
CID 53258701
4-[3-[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]-N-methylbenzamide
CID 53258699

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-[2-(aminomethyl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one (CID 154079084) is 4-[2-(aminomethyl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-[2-(aminomethyl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-[2-(aminomethyl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one is NCc1ccccc1Nc1nc(=O)n(O)c2ncccc12.
What is the InChIKey of 4-[2-(aminomethyl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one?
The InChIKey is YHJBSZSVCAQUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c15-8-9-4-1-2-6-11(9)17-12-10-5-3-7-16-13(10)19(21)14(20)18-12/h1-7,21H,8,15H2,(H,17,18,20).
What are the key properties of 4-[2-(aminomethyl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one?
4-[2-(aminomethyl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one has a molecular weight of 283.29 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 154079084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).