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

C9H15N3O2 — CID 136957257

IUPAC4-[(3-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCC(O)C(C)(C)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O2/c1-6(13)9(2,3)12-7-4-8(14)11-5-10-7/h4-6,13H,1-3H3,(H2,10,11,12,14)
InChIKeyIYVCTRFUJGFHGJ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.34
Rot. Bonds3

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

4-[(3-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136957257) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-[(3-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136957257
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-[(3-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCC(O)C(C)(C)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O2/c1-6(13)9(2,3)12-7-4-8(14)11-5-10-7/h4-6,13H,1-3H3,(H2,10,11,12,14)
InChIKeyIYVCTRFUJGFHGJ-UHFFFAOYSA-N
XLogP0.34
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-6-(2-hydroxypropylamino)-3-methylpyrimidin-4-one
CID 130626255
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703828
4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703837
4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
CID 136817758
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136849677
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one
CID 136866839
4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870597
4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136871933
4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one
CID 136871935
4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one
CID 136949431
4-(1-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one
CID 136956074
4-(2-hydroxypropylamino)-1H-pyrimidin-6-one
CID 136956078

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one (CID 136957257) is 4-[(3-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one is CC(O)C(C)(C)Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(3-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is IYVCTRFUJGFHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(13)9(2,3)12-7-4-8(14)11-5-10-7/h4-6,13H,1-3H3,(H2,10,11,12,14).
What are the key properties of 4-[(3-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
4-[(3-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).