5-amino-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one

C11H13N5O — CID 136973977

IUPAC5-amino-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one
SMILESCC(Nc1nc[nH]c(=O)c1N)c1ccccn1
InChIInChI=1S/C11H13N5O/c1-7(8-4-2-3-5-13-8)16-10-9(12)11(17)15-6-14-10/h2-7H,12H2,1H3,(H2,14,15,16,17)
InChIKeyKLCJIJXMWGFVTF-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.92
Rot. Bonds3

About 5-amino-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one

5-amino-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one (PubChem CID 136973977) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 5-amino-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one
PubChem CID136973977
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name5-amino-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one
SMILESCC(Nc1nc[nH]c(=O)c1N)c1ccccn1
InChIInChI=1S/C11H13N5O/c1-7(8-4-2-3-5-13-8)16-10-9(12)11(17)15-6-14-10/h2-7H,12H2,1H3,(H2,14,15,16,17)
InChIKeyKLCJIJXMWGFVTF-UHFFFAOYSA-N
XLogP0.92
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-iodo-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one
CID 136973979
5-amino-4-[1-(5-methylfuran-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 137016213
6-N-(1-pyridin-2-ylethyl)-7H-purine-2,6-diamine
CID 115669349
5-amino-4-[1-(4-ethylphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136974372
5-amino-4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 136973951
4-N-(1-pyridin-2-ylethyl)pyrimidine-4,5-diamine
CID 79916401
5-amino-2-(1-pyridin-2-ylethylamino)pyridine-3-carboxamide
CID 61360352
5-amino-4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one
CID 137016260
5-amino-4-(1-cyclopentylethylamino)-1H-pyrimidin-6-one
CID 136975856
2,5-dimethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80781352
3-bromo-2-N-(1-pyridin-2-ylethyl)pyridine-2,5-diamine
CID 79531784
5-amino-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 136974722

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one (CID 136973977) is 5-amino-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one is CC(Nc1nc[nH]c(=O)c1N)c1ccccn1.
What is the InChIKey of 5-amino-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one?
The InChIKey is KLCJIJXMWGFVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-7(8-4-2-3-5-13-8)16-10-9(12)11(17)15-6-14-10/h2-7H,12H2,1H3,(H2,14,15,16,17).
What are the key properties of 5-amino-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one?
5-amino-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one has a molecular weight of 231.26 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).