2-amino-4-(2-methoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one

C10H13N5O2 — CID 170185964

IUPAC2-amino-4-(2-methoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCOCCNc1nc(N)nc2cc[nH]c(=O)c12
InChIInChI=1S/C10H13N5O2/c1-17-5-4-12-8-7-6(14-10(11)15-8)2-3-13-9(7)16/h2-3H,4-5H2,1H3,(H,13,16)(H3,11,12,14,15)
InChIKeyLKGCLQDVNLADFJ-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.04
Rot. Bonds4

About 2-amino-4-(2-methoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one

2-amino-4-(2-methoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 170185964) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-amino-4-(2-methoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-(2-methoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID170185964
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name2-amino-4-(2-methoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCOCCNc1nc(N)nc2cc[nH]c(=O)c12
InChIInChI=1S/C10H13N5O2/c1-17-5-4-12-8-7-6(14-10(11)15-8)2-3-13-9(7)16/h2-3H,4-5H2,1H3,(H,13,16)(H3,11,12,14,15)
InChIKeyLKGCLQDVNLADFJ-UHFFFAOYSA-N
XLogP-0.04
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(2-ethoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
CID 170186114
2-amino-4-[[(3R)-hexan-3-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 170186453
2-amino-4-butoxy-6H-pyrido[4,3-d]pyrimidin-5-one
CID 170186267
6-(4-fluorophenyl)-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 69081048
4-(butylamino)-2-[(2,4-dimethoxyphenyl)methylamino]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 171084078
5-bromo-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 130658711
5-iodo-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 134094187
3-N-(2-methoxyethyl)quinoxaline-2,3-diamine
CID 102983552
5-fluoro-6-(furan-2-yl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 18507317
6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
CID 115669328
4-N-(2-methoxyethyl)pyrimidine-2,4,6-triamine
CID 80766455
N-(2-methoxyethyl)-1H-indol-5-amine
CID 82539811

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-(2-methoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one (CID 170185964) is 2-amino-4-(2-methoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-(2-methoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-(2-methoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one is COCCNc1nc(N)nc2cc[nH]c(=O)c12.
What is the InChIKey of 2-amino-4-(2-methoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is LKGCLQDVNLADFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-17-5-4-12-8-7-6(14-10(11)15-8)2-3-13-9(7)16/h2-3H,4-5H2,1H3,(H,13,16)(H3,11,12,14,15).
What are the key properties of 2-amino-4-(2-methoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one?
2-amino-4-(2-methoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 235.25 g/mol, XLogP of -0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 170185964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).