5-amino-4-(pentan-2-ylamino)-1H-pyrimidin-6-one

C9H16N4O — CID 136973568

IUPAC5-amino-4-(pentan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCCC(C)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H16N4O/c1-3-4-6(2)13-8-7(10)9(14)12-5-11-8/h5-6H,3-4,10H2,1-2H3,(H2,11,12,13,14)
InChIKeyDMDBNAOKYOMLFG-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.95
Rot. Bonds4

About 5-amino-4-(pentan-2-ylamino)-1H-pyrimidin-6-one

5-amino-4-(pentan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 136973568) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-amino-4-(pentan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(pentan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID136973568
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name5-amino-4-(pentan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCCC(C)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H16N4O/c1-3-4-6(2)13-8-7(10)9(14)12-5-11-8/h5-6H,3-4,10H2,1-2H3,(H2,11,12,13,14)
InChIKeyDMDBNAOKYOMLFG-UHFFFAOYSA-N
XLogP0.95
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-(4-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one
CID 136976716
5-amino-4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one
CID 137016260
5-amino-4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 136973951
ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136974867
5-amino-4-(1-aminopentan-3-ylamino)-1H-pyrimidin-6-one
CID 137008764
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958424
5-amino-4-[1-(4-ethylphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136974372
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one
CID 136977396
5-amino-4-(1-cyclopentylethylamino)-1H-pyrimidin-6-one
CID 136975856
5-amino-4-[1-(1H-imidazol-2-yl)propylamino]-1H-pyrimidin-6-one
CID 137016684
5-amino-4-[(4-amino-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136901093

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(pentan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(pentan-2-ylamino)-1H-pyrimidin-6-one (CID 136973568) is 5-amino-4-(pentan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(pentan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(pentan-2-ylamino)-1H-pyrimidin-6-one is CCCC(C)Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(pentan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is DMDBNAOKYOMLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-4-6(2)13-8-7(10)9(14)12-5-11-8/h5-6H,3-4,10H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 5-amino-4-(pentan-2-ylamino)-1H-pyrimidin-6-one?
5-amino-4-(pentan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 196.25 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(pentan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).