4-(4-hydroxypentan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one

C12H21N3O2 — CID 137016620

IUPAC4-(4-hydroxypentan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(O)CC(C)Nc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C12H21N3O2/c1-7(2)12-14-10(6-11(17)15-12)13-8(3)5-9(4)16/h6-9,16H,5H2,1-4H3,(H2,13,14,15,17)
InChIKeyOYFJTGBJCJJNIG-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.46
Rot. Bonds5

About 4-(4-hydroxypentan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one

4-(4-hydroxypentan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 137016620) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-(4-hydroxypentan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-hydroxypentan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID137016620
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-(4-hydroxypentan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(O)CC(C)Nc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C12H21N3O2/c1-7(2)12-14-10(6-11(17)15-12)13-8(3)5-9(4)16/h6-9,16H,5H2,1-4H3,(H2,13,14,15,17)
InChIKeyOYFJTGBJCJJNIG-UHFFFAOYSA-N
XLogP1.46
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-hydroxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
CID 136957144
N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
CID 137016251
2-methyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanoic acid
CID 137015941
methyl 3-hydroxy-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoate
CID 137007516
4-(octan-4-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136731501
2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetamide
CID 136973538
4-(2,2-difluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976580
4-(2,3-dimethylbutylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137016485
methyl 2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetate
CID 136973721
4-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136975670
N-cyclopropyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
CID 136976813
4-[1-(4-bromophenyl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974919

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypentan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-hydroxypentan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one (CID 137016620) is 4-(4-hydroxypentan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-hydroxypentan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-hydroxypentan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one is CC(O)CC(C)Nc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-(4-hydroxypentan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is OYFJTGBJCJJNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-7(2)12-14-10(6-11(17)15-12)13-8(3)5-9(4)16/h6-9,16H,5H2,1-4H3,(H2,13,14,15,17).
What are the key properties of 4-(4-hydroxypentan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(4-hydroxypentan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 239.32 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypentan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 137016620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).