5-chloro-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one

C10H16ClN3O2 — CID 136870599

IUPAC5-chloro-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(O)C(C)(C)Nc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O2/c1-9(2,10(3,4)16)14-7-6(11)8(15)13-5-12-7/h5,16H,1-4H3,(H2,12,13,14,15)
InChIKeyVVZZXONXLSLSGU-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.38
Rot. Bonds3

About 5-chloro-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one

5-chloro-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136870599) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 5-chloro-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136870599
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name5-chloro-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(O)C(C)(C)Nc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O2/c1-9(2,10(3,4)16)14-7-6(11)8(15)13-5-12-7/h5,16H,1-4H3,(H2,12,13,14,15)
InChIKeyVVZZXONXLSLSGU-UHFFFAOYSA-N
XLogP1.38
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one (CID 136870599) is 5-chloro-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one is CC(C)(O)C(C)(C)Nc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is VVZZXONXLSLSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-9(2,10(3,4)16)14-7-6(11)8(15)13-5-12-7/h5,16H,1-4H3,(H2,12,13,14,15).
What are the key properties of 5-chloro-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one?
5-chloro-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 245.71 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136870599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).