5-chloro-4-(3-chloropentan-2-ylamino)-1H-pyrimidin-6-one

C9H13Cl2N3O — CID 137263738

IUPAC5-chloro-4-(3-chloropentan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCC(Cl)C(C)Nc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C9H13Cl2N3O/c1-3-6(10)5(2)14-8-7(11)9(15)13-4-12-8/h4-6H,3H2,1-2H3,(H2,12,13,14,15)
InChIKeyOUDVEZQZLOBWRM-UHFFFAOYSA-N
MW250.13 g/mol
LogP2.24
Rot. Bonds4

About 5-chloro-4-(3-chloropentan-2-ylamino)-1H-pyrimidin-6-one

5-chloro-4-(3-chloropentan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 137263738) has the molecular formula C9H13Cl2N3O and a molecular weight of 250.13 g/mol. Its IUPAC name is 5-chloro-4-(3-chloropentan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(3-chloropentan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID137263738
Molecular FormulaC9H13Cl2N3O
Molecular Weight250.13 g/mol
Exact Mass249.04
IUPAC Name5-chloro-4-(3-chloropentan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCC(Cl)C(C)Nc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C9H13Cl2N3O/c1-3-6(10)5(2)14-8-7(11)9(15)13-4-12-8/h4-6H,3H2,1-2H3,(H2,12,13,14,15)
InChIKeyOUDVEZQZLOBWRM-UHFFFAOYSA-N
XLogP2.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-(2-chloropropylamino)-1H-pyrimidin-6-one
CID 136971856
5-chloro-4-(1-methylsulfanylpropan-2-ylamino)-1H-pyrimidin-6-one
CID 136977064
5-chloro-4-(1-hydroxypentan-3-ylamino)-1H-pyrimidin-6-one
CID 136977293
5-chloro-4-(1-cyclobutylethylamino)-1H-pyrimidin-6-one
CID 136977342
5-chloro-4-[(1-hydroxy-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847969
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide
CID 136974772
5-chloro-4-(2-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136977253
5-chloro-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one
CID 136973947
5-chloro-4-(2,3,3-trimethylbutylamino)-1H-pyrimidin-6-one
CID 136976712
5-chloro-4-[[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one
CID 136978882
4-[(1-amino-3-methoxypropan-2-yl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136870582
5-bromo-4-(2-chloropentan-3-ylamino)-1H-pyrimidin-6-one
CID 137267563

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-chloropentan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(3-chloropentan-2-ylamino)-1H-pyrimidin-6-one (CID 137263738) is 5-chloro-4-(3-chloropentan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(3-chloropentan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(3-chloropentan-2-ylamino)-1H-pyrimidin-6-one is CCC(Cl)C(C)Nc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(3-chloropentan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is OUDVEZQZLOBWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2N3O/c1-3-6(10)5(2)14-8-7(11)9(15)13-4-12-8/h4-6H,3H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-chloro-4-(3-chloropentan-2-ylamino)-1H-pyrimidin-6-one?
5-chloro-4-(3-chloropentan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 250.13 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-chloropentan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 137263738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).