6-[1-(6-methoxy-2-pyridinyl)ethylamino]-3H-pyrido[3,2-d]pyrimidin-4-one

C15H15N5O2 — CID 167918056

IUPAC6-[1-(6-methoxy-2-pyridinyl)ethylamino]-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESCOc1cccc(C(C)Nc2ccc3nc[nH]c(=O)c3n2)n1
InChIInChI=1S/C15H15N5O2/c1-9(10-4-3-5-13(19-10)22-2)18-12-7-6-11-14(20-12)15(21)17-8-16-11/h3-9H,1-2H3,(H,18,20)(H,16,17,21)
InChIKeyVSSKDMWLECWZJJ-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.89
Rot. Bonds4

About 6-[1-(6-methoxy-2-pyridinyl)ethylamino]-3H-pyrido[3,2-d]pyrimidin-4-one

6-[1-(6-methoxy-2-pyridinyl)ethylamino]-3H-pyrido[3,2-d]pyrimidin-4-one (PubChem CID 167918056) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 6-[1-(6-methoxy-2-pyridinyl)ethylamino]-3H-pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[1-(6-methoxy-2-pyridinyl)ethylamino]-3H-pyrido[3,2-d]pyrimidin-4-one
PubChem CID167918056
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name6-[1-(6-methoxy-2-pyridinyl)ethylamino]-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESCOc1cccc(C(C)Nc2ccc3nc[nH]c(=O)c3n2)n1
InChIInChI=1S/C15H15N5O2/c1-9(10-4-3-5-13(19-10)22-2)18-12-7-6-11-14(20-12)15(21)17-8-16-11/h3-9H,1-2H3,(H,18,20)(H,16,17,21)
InChIKeyVSSKDMWLECWZJJ-UHFFFAOYSA-N
XLogP1.89
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[1-(6-methoxy-2-pyridinyl)ethylamino]-3H-pyrido[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

1-(6-methoxy-2-pyridinyl)ethylhydrazine
CID 53402364
6-methoxy-N-propan-2-ylpyridin-2-amine
CID 15593350
6-bromo-3H-pyrido[3,2-d]pyrimidin-4-one
CID 137032185
6-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 106283004
6-fluoro-3H-pyrido[3,2-d]pyrimidin-4-one
CID 135427088
6-(3-aminophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 155340602
6-(3-methylsulfonylphenyl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 166400304
2-(6-methoxy-2-pyridinyl)propanedial
CID 89007961
6-methoxy-3H-pteridin-4-one
CID 135742619
5-iodo-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one
CID 136973979
2-amino-1-(6-methoxy-2-pyridinyl)propan-1-ol
CID 82654871
3-(6-methoxy-2-pyridinyl)butan-2-ol
CID 63588761

Frequently Asked Questions

What is the IUPAC name of 6-[1-(6-methoxy-2-pyridinyl)ethylamino]-3H-pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-[1-(6-methoxy-2-pyridinyl)ethylamino]-3H-pyrido[3,2-d]pyrimidin-4-one (CID 167918056) is 6-[1-(6-methoxy-2-pyridinyl)ethylamino]-3H-pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-[1-(6-methoxy-2-pyridinyl)ethylamino]-3H-pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-[1-(6-methoxy-2-pyridinyl)ethylamino]-3H-pyrido[3,2-d]pyrimidin-4-one is COc1cccc(C(C)Nc2ccc3nc[nH]c(=O)c3n2)n1.
What is the InChIKey of 6-[1-(6-methoxy-2-pyridinyl)ethylamino]-3H-pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is VSSKDMWLECWZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-9(10-4-3-5-13(19-10)22-2)18-12-7-6-11-14(20-12)15(21)17-8-16-11/h3-9H,1-2H3,(H,18,20)(H,16,17,21).
What are the key properties of 6-[1-(6-methoxy-2-pyridinyl)ethylamino]-3H-pyrido[3,2-d]pyrimidin-4-one?
6-[1-(6-methoxy-2-pyridinyl)ethylamino]-3H-pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 297.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(6-methoxy-2-pyridinyl)ethylamino]-3H-pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 167918056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).