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

C10H16ClN3O2 — CID 136703834

IUPAC5-chloro-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)CC(O)CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O2/c1-6(2)3-7(15)4-12-9-8(11)10(16)14-5-13-9/h5-7,15H,3-4H2,1-2H3,(H2,12,13,14,16)
InChIKeyFKLIMDSNLOBYJJ-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.24
Rot. Bonds5

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

5-chloro-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one (PubChem CID 136703834) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 5-chloro-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
PubChem CID136703834
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name5-chloro-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)CC(O)CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O2/c1-6(2)3-7(15)4-12-9-8(11)10(16)14-5-13-9/h5-7,15H,3-4H2,1-2H3,(H2,12,13,14,16)
InChIKeyFKLIMDSNLOBYJJ-UHFFFAOYSA-N
XLogP1.24
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703825
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136703826
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703828
4-[(2-hydroxy-4-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136703835
4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703837
5-bromo-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703838
4-[(2-hydroxy-4-methylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136703840
5-amino-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703841
5-chloro-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749168
4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
CID 136817758
5-bromo-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
CID 136817759
5-chloro-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
CID 136817760

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one (CID 136703834) is 5-chloro-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one is CC(C)CC(O)CNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one?
The InChIKey is FKLIMDSNLOBYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-6(2)3-7(15)4-12-9-8(11)10(16)14-5-13-9/h5-7,15H,3-4H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 5-chloro-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one?
5-chloro-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one has a molecular weight of 245.71 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136703834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).