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

C9H14ClN3O2 — CID 136975986

IUPAC5-chloro-4-[(1-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCCC(C)(CO)Nc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C9H14ClN3O2/c1-3-9(2,4-14)13-7-6(10)8(15)12-5-11-7/h5,14H,3-4H2,1-2H3,(H2,11,12,13,15)
InChIKeyFXQWMINZRKIRGY-UHFFFAOYSA-N
MW231.68 g/mol
LogP1.00
Rot. Bonds4

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

5-chloro-4-[(1-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136975986) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 5-chloro-4-[(1-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(1-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136975986
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name5-chloro-4-[(1-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCCC(C)(CO)Nc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C9H14ClN3O2/c1-3-9(2,4-14)13-7-6(10)8(15)12-5-11-7/h5,14H,3-4H2,1-2H3,(H2,11,12,13,15)
InChIKeyFXQWMINZRKIRGY-UHFFFAOYSA-N
XLogP1.00
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(1-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(1-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one (CID 136975986) is 5-chloro-4-[(1-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(1-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(1-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one is CCC(C)(CO)Nc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[(1-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is FXQWMINZRKIRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2/c1-3-9(2,4-14)13-7-6(10)8(15)12-5-11-7/h5,14H,3-4H2,1-2H3,(H2,11,12,13,15).
What are the key properties of 5-chloro-4-[(1-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
5-chloro-4-[(1-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 231.68 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(1-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).