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

C12H19N3O2 — CID 136949434

IUPAC2-cyclopropyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one
SMILESCC(C)[C@@H](CO)Nc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H19N3O2/c1-7(2)9(6-16)13-10-5-11(17)15-12(14-10)8-3-4-8/h5,7-9,16H,3-4,6H2,1-2H3,(H2,13,14,15,17)/t9-/m1/s1
InChIKeyVDYIFBBZUSCVJQ-SECBINFHSA-N
MW237.30 g/mol
LogP1.08
Rot. Bonds5

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

2-cyclopropyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one (PubChem CID 136949434) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-cyclopropyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one
PubChem CID136949434
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-cyclopropyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one
SMILESCC(C)[C@@H](CO)Nc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H19N3O2/c1-7(2)9(6-16)13-10-5-11(17)15-12(14-10)8-3-4-8/h5,7-9,16H,3-4,6H2,1-2H3,(H2,13,14,15,17)/t9-/m1/s1
InChIKeyVDYIFBBZUSCVJQ-SECBINFHSA-N
XLogP1.08
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136703822
2-cyclopropyl-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703823
2-ethyl-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703830
2-cyclopropyl-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703832
4-[(2-hydroxy-4-methylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136703833
2-ethyl-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703839
2-cyclopropyl-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704098
2-cyclopropyl-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136758197
4-(5-hydroxypentylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136759214
2-cyclopropyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759218
4-[2-(cyclopropylmethoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136764985
2-cyclopropyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766326

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one (CID 136949434) is 2-cyclopropyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one is CC(C)[C@@H](CO)Nc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one?
The InChIKey is VDYIFBBZUSCVJQ-SECBINFHSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-7(2)9(6-16)13-10-5-11(17)15-12(14-10)8-3-4-8/h5,7-9,16H,3-4,6H2,1-2H3,(H2,13,14,15,17)/t9-/m1/s1.
What are the key properties of 2-cyclopropyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136949434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).