5-amino-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one

C9H16N4O3 — CID 136979598

IUPAC5-amino-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one
SMILESCOCC(O)CN(C)c1nc[nH]c(=O)c1N
InChIInChI=1S/C9H16N4O3/c1-13(3-6(14)4-16-2)8-7(10)9(15)12-5-11-8/h5-6,14H,3-4,10H2,1-2H3,(H,11,12,15)
InChIKeyWMMNMFQGRSENGC-UHFFFAOYSA-N
MW228.25 g/mol
LogP-1.20
Rot. Bonds5

About 5-amino-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one

5-amino-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one (PubChem CID 136979598) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-amino-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one
PubChem CID136979598
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name5-amino-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one
SMILESCOCC(O)CN(C)c1nc[nH]c(=O)c1N
InChIInChI=1S/C9H16N4O3/c1-13(3-6(14)4-16-2)8-7(10)9(15)12-5-11-8/h5-6,14H,3-4,10H2,1-2H3,(H,11,12,15)
InChIKeyWMMNMFQGRSENGC-UHFFFAOYSA-N
XLogP-1.20
TPSA104.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-4-[2-methoxyethyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009396
5-amino-4-[methyl(2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 137009099
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 137009322
5-amino-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one
CID 137009854
5-amino-4-[(2-hydroxy-3-methoxypropyl)amino]-1H-pyrimidin-6-one
CID 136975883
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid
CID 136958649
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 136989947
4-[2,2-difluoroethyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009953
4-[2-aminopropyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137008367
1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol
CID 113420435
5-amino-4-[ethyl(propyl)amino]-1H-pyrimidin-6-one
CID 137009081
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 137016005

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one (CID 136979598) is 5-amino-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one is COCC(O)CN(C)c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one?
The InChIKey is WMMNMFQGRSENGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-13(3-6(14)4-16-2)8-7(10)9(15)12-5-11-8/h5-6,14H,3-4,10H2,1-2H3,(H,11,12,15).
What are the key properties of 5-amino-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one has a molecular weight of 228.25 g/mol, XLogP of -1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136979598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).