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

C10H16ClN3O2 — CID 136901130

IUPAC5-chloro-4-[(5-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
SMILESCC(CO)CCCNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O2/c1-7(5-15)3-2-4-12-9-8(11)10(16)14-6-13-9/h6-7,15H,2-5H2,1H3,(H2,12,13,14,16)
InChIKeyAROZJOLAIRSWAK-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.24
Rot. Bonds6

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

5-chloro-4-[(5-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one (PubChem CID 136901130) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 5-chloro-4-[(5-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(5-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
PubChem CID136901130
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name5-chloro-4-[(5-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
SMILESCC(CO)CCCNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O2/c1-7(5-15)3-2-4-12-9-8(11)10(16)14-6-13-9/h6-7,15H,2-5H2,1H3,(H2,12,13,14,16)
InChIKeyAROZJOLAIRSWAK-UHFFFAOYSA-N
XLogP1.24
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703825
5-chloro-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703834
5-chloro-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759216
5-chloro-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766325
5-chloro-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
CID 136786668
5-chloro-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
CID 136817760
5-chloro-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821996
5-chloro-4-[(1-hydroxy-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847969
5-chloro-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847979
5-chloro-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136849679
5-chloro-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136857357
4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136857363

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(5-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(5-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one (CID 136901130) is 5-chloro-4-[(5-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(5-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(5-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one is CC(CO)CCCNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[(5-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one?
The InChIKey is AROZJOLAIRSWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-7(5-15)3-2-4-12-9-8(11)10(16)14-6-13-9/h6-7,15H,2-5H2,1H3,(H2,12,13,14,16).
What are the key properties of 5-chloro-4-[(5-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one?
5-chloro-4-[(5-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one has a molecular weight of 245.71 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(5-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136901130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).