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

C10H18N4O2 — CID 136870592

IUPAC5-amino-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(O)C(C)(C)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O2/c1-9(2,10(3,4)16)14-7-6(11)8(15)13-5-12-7/h5,16H,11H2,1-4H3,(H2,12,13,14,15)
InChIKeyFPQLORFOOOUPFD-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.31
Rot. Bonds3

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

5-amino-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136870592) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-amino-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136870592
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name5-amino-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(O)C(C)(C)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O2/c1-9(2,10(3,4)16)14-7-6(11)8(15)13-5-12-7/h5,16H,11H2,1-4H3,(H2,12,13,14,15)
InChIKeyFPQLORFOOOUPFD-UHFFFAOYSA-N
XLogP0.31
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819388
5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870593
4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870597
4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136870598
5-chloro-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870599
5-amino-4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one
CID 136871937
5-amino-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one
CID 136949433
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbutanoic acid
CID 136959282
5-amino-4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one
CID 136975421
5-amino-4-[(1-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136975983
5-amino-4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136976061
5-amino-4-[(2-hydroxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 136976067

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one (CID 136870592) is 5-amino-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one is CC(C)(O)C(C)(C)Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is FPQLORFOOOUPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-9(2,10(3,4)16)14-7-6(11)8(15)13-5-12-7/h5,16H,11H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 5-amino-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of 0.31, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136870592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).