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

C7H12N4O2 — CID 136973951

IUPAC5-amino-4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(CO)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C7H12N4O2/c1-4(2-12)11-6-5(8)7(13)10-3-9-6/h3-4,12H,2,8H2,1H3,(H2,9,10,11,13)
InChIKeyLXDSQIKULWEWMF-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.86
Rot. Bonds3

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

5-amino-4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 136973951) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 5-amino-4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID136973951
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name5-amino-4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(CO)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C7H12N4O2/c1-4(2-12)11-6-5(8)7(13)10-3-9-6/h3-4,12H,2,8H2,1H3,(H2,9,10,11,13)
InChIKeyLXDSQIKULWEWMF-UHFFFAOYSA-N
XLogP-0.86
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(4-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one
CID 136976716
5-amino-4-(pentan-2-ylamino)-1H-pyrimidin-6-one
CID 136973568
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
ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136974867
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-tert-butylpropanamide
CID 137016633
5-amino-4-(1-cyclopentylethylamino)-1H-pyrimidin-6-one
CID 136975856
5-amino-4-(1-aminopentan-3-ylamino)-1H-pyrimidin-6-one
CID 137008764
5-amino-4-[1-(1H-imidazol-2-yl)propylamino]-1H-pyrimidin-6-one
CID 137016684
5-amino-4-[1-(4-ethylphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136974372
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 137016632

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one (CID 136973951) is 5-amino-4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one is CC(CO)Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is LXDSQIKULWEWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-4(2-12)11-6-5(8)7(13)10-3-9-6/h3-4,12H,2,8H2,1H3,(H2,9,10,11,13).
What are the key properties of 5-amino-4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one?
5-amino-4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 184.20 g/mol, XLogP of -0.86, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).