2-amino-4-[2-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one

C13H16N4O2 — CID 135476459

IUPAC2-amino-4-[2-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
SMILESCOc1ccc(CCNc2cc(=O)[nH]c(N)n2)cc1
InChIInChI=1S/C13H16N4O2/c1-19-10-4-2-9(3-5-10)6-7-15-11-8-12(18)17-13(14)16-11/h2-5,8H,6-7H2,1H3,(H4,14,15,16,17,18)
InChIKeyNGPGNZOMBBGPNW-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.02
Rot. Bonds5

About 2-amino-4-[2-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one

2-amino-4-[2-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 135476459) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-amino-4-[2-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[2-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
PubChem CID135476459
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-amino-4-[2-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
SMILESCOc1ccc(CCNc2cc(=O)[nH]c(N)n2)cc1
InChIInChI=1S/C13H16N4O2/c1-19-10-4-2-9(3-5-10)6-7-15-11-8-12(18)17-13(14)16-11/h2-5,8H,6-7H2,1H3,(H4,14,15,16,17,18)
InChIKeyNGPGNZOMBBGPNW-UHFFFAOYSA-N
XLogP1.02
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[2-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one (CID 135476459) is 2-amino-4-[2-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[2-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[2-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one is COc1ccc(CCNc2cc(=O)[nH]c(N)n2)cc1.
What is the InChIKey of 2-amino-4-[2-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is NGPGNZOMBBGPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-19-10-4-2-9(3-5-10)6-7-15-11-8-12(18)17-13(14)16-11/h2-5,8H,6-7H2,1H3,(H4,14,15,16,17,18).
What are the key properties of 2-amino-4-[2-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one?
2-amino-4-[2-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 260.30 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 135476459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).