5-chloro-4-[(2-ethyl-4-hydroxybutyl)amino]-1H-pyrimidin-6-one

C10H16ClN3O2 — CID 136976422

IUPAC5-chloro-4-[(2-ethyl-4-hydroxybutyl)amino]-1H-pyrimidin-6-one
SMILESCCC(CCO)CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O2/c1-2-7(3-4-15)5-12-9-8(11)10(16)14-6-13-9/h6-7,15H,2-5H2,1H3,(H2,12,13,14,16)
InChIKeyTWXHSXCARKAAQK-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.24
Rot. Bonds6

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

5-chloro-4-[(2-ethyl-4-hydroxybutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136976422) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 5-chloro-4-[(2-ethyl-4-hydroxybutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2-ethyl-4-hydroxybutyl)amino]-1H-pyrimidin-6-one
PubChem CID136976422
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name5-chloro-4-[(2-ethyl-4-hydroxybutyl)amino]-1H-pyrimidin-6-one
SMILESCCC(CCO)CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O2/c1-2-7(3-4-15)5-12-9-8(11)10(16)14-6-13-9/h6-7,15H,2-5H2,1H3,(H2,12,13,14,16)
InChIKeyTWXHSXCARKAAQK-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

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Related Compounds

5-chloro-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703834
5-chloro-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136738997
5-chloro-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756215
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-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772470
5-chloro-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
CID 136817760
5-chloro-4-[(3-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136823134
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2-ethyl-4-hydroxybutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(2-ethyl-4-hydroxybutyl)amino]-1H-pyrimidin-6-one (CID 136976422) is 5-chloro-4-[(2-ethyl-4-hydroxybutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(2-ethyl-4-hydroxybutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(2-ethyl-4-hydroxybutyl)amino]-1H-pyrimidin-6-one is CCC(CCO)CNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[(2-ethyl-4-hydroxybutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is TWXHSXCARKAAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-2-7(3-4-15)5-12-9-8(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-[(2-ethyl-4-hydroxybutyl)amino]-1H-pyrimidin-6-one?
5-chloro-4-[(2-ethyl-4-hydroxybutyl)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-[(2-ethyl-4-hydroxybutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).