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

C10H17N3O2 — CID 136949429

IUPAC4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N[C@H](CO)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-6(2)8(5-14)13-9-4-10(15)12-7(3)11-9/h4,6,8,14H,5H2,1-3H3,(H2,11,12,13,15)/t8-/m1/s1
InChIKeyFGHAGABSAIEFPY-MRVPVSSYSA-N
MW211.26 g/mol
LogP0.51
Rot. Bonds4

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

4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136949429) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136949429
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N[C@H](CO)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-6(2)8(5-14)13-9-4-10(15)12-7(3)11-9/h4,6,8,14H,5H2,1-3H3,(H2,11,12,13,15)/t8-/m1/s1
InChIKeyFGHAGABSAIEFPY-MRVPVSSYSA-N
XLogP0.51
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136703822
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136703824
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
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136758193
2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772464
4-(4-hydroxybutylamino)-2-methyl-1H-pyrimidin-6-one
CID 136772468
4-(4-hydroxybutylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136772469
2-cyclopropyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772473
2-ethyl-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
CID 136817762

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-methyl-1H-pyrimidin-6-one (CID 136949429) is 4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N[C@H](CO)C(C)C)cc(=O)[nH]1.
What is the InChIKey of 4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is FGHAGABSAIEFPY-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-6(2)8(5-14)13-9-4-10(15)12-7(3)11-9/h4,6,8,14H,5H2,1-3H3,(H2,11,12,13,15)/t8-/m1/s1.
What are the key properties of 4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-methyl-1H-pyrimidin-6-one?
4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136949429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).