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

C9H16N4O3 — CID 136901112

IUPAC5-amino-4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCOCC(CCO)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H16N4O3/c1-16-4-6(2-3-14)13-8-7(10)9(15)12-5-11-8/h5-6,14H,2-4,10H2,1H3,(H2,11,12,13,15)
InChIKeyUKZIHSJYKUIUBD-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.84
Rot. Bonds6

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

5-amino-4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136901112) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-amino-4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136901112
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name5-amino-4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCOCC(CCO)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H16N4O3/c1-16-4-6(2-3-14)13-8-7(10)9(15)12-5-11-8/h5-6,14H,2-4,10H2,1H3,(H2,11,12,13,15)
InChIKeyUKZIHSJYKUIUBD-UHFFFAOYSA-N
XLogP-0.84
TPSA113.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one;propane
CID 143725444
5-amino-4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 135575729
5-amino-4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730542
5-amino-4-[(3-amino-4-methoxybutyl)amino]-1H-pyrimidin-6-one
CID 136805760
5-amino-4-[(1-hydroxy-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847965
5-amino-4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one
CID 136852191
5-amino-4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870578
5-amino-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870603
5-amino-4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one
CID 136871937
5-amino-4-[(4-amino-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136901093
5-bromo-4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136901113
4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136901117

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one (CID 136901112) is 5-amino-4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one is COCC(CCO)Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is UKZIHSJYKUIUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-16-4-6(2-3-14)13-8-7(10)9(15)12-5-11-8/h5-6,14H,2-4,10H2,1H3,(H2,11,12,13,15).
What are the key properties of 5-amino-4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 228.25 g/mol, XLogP of -0.84, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136901112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).