5-amino-4-[1-(1H-imidazol-2-yl)propylamino]-1H-pyrimidin-6-one

C10H14N6O — CID 137016684

IUPAC5-amino-4-[1-(1H-imidazol-2-yl)propylamino]-1H-pyrimidin-6-one
SMILESCCC(Nc1nc[nH]c(=O)c1N)c1ncc[nH]1
InChIInChI=1S/C10H14N6O/c1-2-6(8-12-3-4-13-8)16-9-7(11)10(17)15-5-14-9/h3-6H,2,11H2,1H3,(H,12,13)(H2,14,15,16,17)
InChIKeyLLAZZWTTXPLRAW-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.64
Rot. Bonds4

About 5-amino-4-[1-(1H-imidazol-2-yl)propylamino]-1H-pyrimidin-6-one

5-amino-4-[1-(1H-imidazol-2-yl)propylamino]-1H-pyrimidin-6-one (PubChem CID 137016684) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-amino-4-[1-(1H-imidazol-2-yl)propylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[1-(1H-imidazol-2-yl)propylamino]-1H-pyrimidin-6-one
PubChem CID137016684
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name5-amino-4-[1-(1H-imidazol-2-yl)propylamino]-1H-pyrimidin-6-one
SMILESCCC(Nc1nc[nH]c(=O)c1N)c1ncc[nH]1
InChIInChI=1S/C10H14N6O/c1-2-6(8-12-3-4-13-8)16-9-7(11)10(17)15-5-14-9/h3-6H,2,11H2,1H3,(H,12,13)(H2,14,15,16,17)
InChIKeyLLAZZWTTXPLRAW-UHFFFAOYSA-N
XLogP0.64
TPSA112.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(1-aminopentan-3-ylamino)-1H-pyrimidin-6-one
CID 137008764
5-amino-4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 136973951
5-amino-4-(pentan-2-ylamino)-1H-pyrimidin-6-one
CID 136973568
5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one
CID 136977396
ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136974867
1,3-bis[1-(1H-imidazol-2-yl)propyl]urea
CID 162195808
5-amino-4-(4-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one
CID 136976716
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958424
5-amino-4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one
CID 137016260
5-amino-4-[1-(4-ethylphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136974372
5-amino-4-[(4-amino-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136901093
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[1-(1H-imidazol-2-yl)propylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[1-(1H-imidazol-2-yl)propylamino]-1H-pyrimidin-6-one (CID 137016684) is 5-amino-4-[1-(1H-imidazol-2-yl)propylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[1-(1H-imidazol-2-yl)propylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[1-(1H-imidazol-2-yl)propylamino]-1H-pyrimidin-6-one is CCC(Nc1nc[nH]c(=O)c1N)c1ncc[nH]1.
What is the InChIKey of 5-amino-4-[1-(1H-imidazol-2-yl)propylamino]-1H-pyrimidin-6-one?
The InChIKey is LLAZZWTTXPLRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-2-6(8-12-3-4-13-8)16-9-7(11)10(17)15-5-14-9/h3-6H,2,11H2,1H3,(H,12,13)(H2,14,15,16,17).
What are the key properties of 5-amino-4-[1-(1H-imidazol-2-yl)propylamino]-1H-pyrimidin-6-one?
5-amino-4-[1-(1H-imidazol-2-yl)propylamino]-1H-pyrimidin-6-one has a molecular weight of 234.26 g/mol, XLogP of 0.64, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[1-(1H-imidazol-2-yl)propylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137016684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).