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

C8H14N4O3 — CID 136975883

IUPAC5-amino-4-[(2-hydroxy-3-methoxypropyl)amino]-1H-pyrimidin-6-one
SMILESCOCC(O)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H14N4O3/c1-15-3-5(13)2-10-7-6(9)8(14)12-4-11-7/h4-5,13H,2-3,9H2,1H3,(H2,10,11,12,14)
InChIKeyMCIATAVQGKCQGR-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.23
Rot. Bonds5

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

5-amino-4-[(2-hydroxy-3-methoxypropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136975883) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-amino-4-[(2-hydroxy-3-methoxypropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(2-hydroxy-3-methoxypropyl)amino]-1H-pyrimidin-6-one
PubChem CID136975883
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name5-amino-4-[(2-hydroxy-3-methoxypropyl)amino]-1H-pyrimidin-6-one
SMILESCOCC(O)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H14N4O3/c1-15-3-5(13)2-10-7-6(9)8(14)12-4-11-7/h4-5,13H,2-3,9H2,1H3,(H2,10,11,12,14)
InChIKeyMCIATAVQGKCQGR-UHFFFAOYSA-N
XLogP-1.23
TPSA113.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-4-[(3-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136975203
5-amino-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703841
5-amino-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820289
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-[(2-amino-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136912678
5-amino-4-[(2-amino-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136961736
5-amino-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one
CID 136979598
5-amino-4-[(4-amino-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136901093
3-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-5-methylhexanoic acid
CID 136959119
5-amino-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one
CID 136679983
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-5-methoxypentanoic acid
CID 136959366

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2-hydroxy-3-methoxypropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(2-hydroxy-3-methoxypropyl)amino]-1H-pyrimidin-6-one (CID 136975883) is 5-amino-4-[(2-hydroxy-3-methoxypropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(2-hydroxy-3-methoxypropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(2-hydroxy-3-methoxypropyl)amino]-1H-pyrimidin-6-one is COCC(O)CNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(2-hydroxy-3-methoxypropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is MCIATAVQGKCQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-15-3-5(13)2-10-7-6(9)8(14)12-4-11-7/h4-5,13H,2-3,9H2,1H3,(H2,10,11,12,14).
What are the key properties of 5-amino-4-[(2-hydroxy-3-methoxypropyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(2-hydroxy-3-methoxypropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 214.22 g/mol, XLogP of -1.23, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2-hydroxy-3-methoxypropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).