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

C13H16N4O2 — CID 136887855

IUPAC5-amino-4-[2-(2-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
SMILESCOc1ccccc1CCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C13H16N4O2/c1-19-10-5-3-2-4-9(10)6-7-15-12-11(14)13(18)17-8-16-12/h2-5,8H,6-7,14H2,1H3,(H2,15,16,17,18)
InChIKeyDYLVWKSPAUNYJB-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.02
Rot. Bonds5

About 5-amino-4-[2-(2-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one

5-amino-4-[2-(2-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136887855) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-amino-4-[2-(2-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-(2-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136887855
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-amino-4-[2-(2-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
SMILESCOc1ccccc1CCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C13H16N4O2/c1-19-10-5-3-2-4-9(10)6-7-15-12-11(14)13(18)17-8-16-12/h2-5,8H,6-7,14H2,1H3,(H2,15,16,17,18)
InChIKeyDYLVWKSPAUNYJB-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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Related Compounds

5-amino-4-(2-methoxyanilino)-1H-pyrimidin-6-one
CID 135568342
5-amino-4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 135568300
3-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 106259906
5-amino-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820289
5-bromo-4-[2-(2-fluorophenyl)ethylamino]-1H-pyrimidin-6-one
CID 136955963
5-bromo-6-hydrazinyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 106262742
5-amino-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 136974722
4-N-[2-(2-methoxyphenyl)ethyl]-5-nitropyrimidine-2,4-diamine
CID 106262701
5-amino-4-[(3-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136975203
5-amino-4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730542
5-amino-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carbonitrile
CID 106259794
4-[2-(2-aminophenoxy)ethylamino]-5-bromo-1H-pyrimidin-6-one
CID 136979424

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2-(2-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-(2-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one (CID 136887855) is 5-amino-4-[2-(2-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-(2-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-(2-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one is COc1ccccc1CCNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[2-(2-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is DYLVWKSPAUNYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-19-10-5-3-2-4-9(10)6-7-15-12-11(14)13(18)17-8-16-12/h2-5,8H,6-7,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-amino-4-[2-(2-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one?
5-amino-4-[2-(2-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 5-amino-4-[2-(2-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136887855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).