5-amino-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one

C8H14N4O2 — CID 136979637

IUPAC5-amino-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCC(O)CN(C)c1nc[nH]c(=O)c1N
InChIInChI=1S/C8H14N4O2/c1-5(13)3-12(2)7-6(9)8(14)11-4-10-7/h4-5,13H,3,9H2,1-2H3,(H,10,11,14)
InChIKeySIDWLVUKOAFGKS-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.83
Rot. Bonds3

About 5-amino-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one

5-amino-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one (PubChem CID 136979637) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 5-amino-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one
PubChem CID136979637
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name5-amino-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCC(O)CN(C)c1nc[nH]c(=O)c1N
InChIInChI=1S/C8H14N4O2/c1-5(13)3-12(2)7-6(9)8(14)11-4-10-7/h4-5,13H,3,9H2,1-2H3,(H,10,11,14)
InChIKeySIDWLVUKOAFGKS-UHFFFAOYSA-N
XLogP-0.83
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136737793
5-amino-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790778
5-amino-4-[(3,3-difluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790789
5-amino-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136932119
2,5-Diamino-6-(1-hydroxyethylamino)-3-methylpyrimidin-4-one
CID 21415604
2,5-Diamino-6-((2-hydroxyethyl)amino)-3-methylpyrimidin-4(3H)-one
CID 70633393
2,5-Diamino-6-((2-hydroxyethyl)amino)pyrimidin-4(1H)-one
CID 136271499
5-amino-2-(dimethylamino)-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136453504
4,5-bis[(2-amino-2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136477344
2-Amino-7-(2-hydroxypropyl)-1,9-dihydropurine-6,8-dione
CID 156392065
4-[[(1R)-1-(1,3-dihydroxypropan-2-yloxy)-2-hydroxyethyl]-methylamino]-5-(methylideneamino)-1H-pyrimidin-6-one
CID 174310161
5-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135568290

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one (CID 136979637) is 5-amino-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one is CC(O)CN(C)c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one?
The InChIKey is SIDWLVUKOAFGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-5(13)3-12(2)7-6(9)8(14)11-4-10-7/h4-5,13H,3,9H2,1-2H3,(H,10,11,14).
What are the key properties of 5-amino-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one has a molecular weight of 198.23 g/mol, XLogP of -0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2-hydroxypropyl(methyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136979637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).