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

C8H14N4O3 — CID 136870603

IUPAC5-amino-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCOCC(CO)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H14N4O3/c1-15-3-5(2-13)12-7-6(9)8(14)11-4-10-7/h4-5,13H,2-3,9H2,1H3,(H2,10,11,12,14)
InChIKeyFHFJFJXRCPWWRF-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.23
Rot. Bonds5

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

5-amino-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136870603) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-amino-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136870603
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name5-amino-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCOCC(CO)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H14N4O3/c1-15-3-5(2-13)12-7-6(9)8(14)11-4-10-7/h4-5,13H,2-3,9H2,1H3,(H2,10,11,12,14)
InChIKeyFHFJFJXRCPWWRF-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

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
5-amino-4-[ethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 135568293
5-amino-4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one
CID 135568296
5-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one
CID 135575674
5-amino-4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 135575729
5-Amino-6-((2-hydroxyethyl)amino)pyrimidin-4(3H)-one
CID 136271508
5-amino-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820289
5-amino-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one
CID 136866835
5-amino-4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870578

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one (CID 136870603) is 5-amino-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one is COCC(CO)Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is FHFJFJXRCPWWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-15-3-5(2-13)12-7-6(9)8(14)11-4-10-7/h4-5,13H,2-3,9H2,1H3,(H2,10,11,12,14).
What are the key properties of 5-amino-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(1-hydroxy-3-methoxypropan-2-yl)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-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136870603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).