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

C13H23N3O2 — CID 136849674

IUPAC4-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCC(C)(CCO)Nc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C13H23N3O2/c1-5-13(4,6-7-17)16-10-8-11(18)15-12(14-10)9(2)3/h8-9,17H,5-7H2,1-4H3,(H2,14,15,16,18)
InChIKeyAXVTWAOFQPDSFM-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.86
Rot. Bonds6

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

4-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136849674) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136849674
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCC(C)(CCO)Nc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C13H23N3O2/c1-5-13(4,6-7-17)16-10-8-11(18)15-12(14-10)9(2)3/h8-9,17H,5-7H2,1-4H3,(H2,14,15,16,18)
InChIKeyAXVTWAOFQPDSFM-UHFFFAOYSA-N
XLogP1.86
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136730424
4-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one
CID 136730475
2-cyclopropyl-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136730480
4-(3-methylpentan-3-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136757520
4-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136847963
2-cyclopropyl-4-[(1-hydroxy-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847968
2-ethyl-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847971
4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136847974
2-ethyl-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136849673
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136849675
2-ethyl-4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one
CID 136864259
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136864260

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136849674) is 4-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CCC(C)(CCO)Nc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is AXVTWAOFQPDSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-13(4,6-7-17)16-10-8-11(18)15-12(14-10)9(2)3/h8-9,17H,5-7H2,1-4H3,(H2,14,15,16,18).
What are the key properties of 4-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 253.35 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136849674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).