4-(2-chloropentyl)-N,N-dimethylpyrimidin-2-amine

C11H18ClN3 — CID 64829137

IUPAC4-(2-chloropentyl)-N,N-dimethylpyrimidin-2-amine
SMILESCCCC(Cl)Cc1ccnc(N(C)C)n1
InChIInChI=1S/C11H18ClN3/c1-4-5-9(12)8-10-6-7-13-11(14-10)15(2)3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyXOJPEGGBMOMXQH-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.49
Rot. Bonds5

About 4-(2-chloropentyl)-N,N-dimethylpyrimidin-2-amine

4-(2-chloropentyl)-N,N-dimethylpyrimidin-2-amine (PubChem CID 64829137) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 4-(2-chloropentyl)-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-chloropentyl)-N,N-dimethylpyrimidin-2-amine
PubChem CID64829137
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name4-(2-chloropentyl)-N,N-dimethylpyrimidin-2-amine
SMILESCCCC(Cl)Cc1ccnc(N(C)C)n1
InChIInChI=1S/C11H18ClN3/c1-4-5-9(12)8-10-6-7-13-11(14-10)15(2)3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyXOJPEGGBMOMXQH-UHFFFAOYSA-N
XLogP2.49
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Tert-butyl-2-chloropyrimidine
CID 12450625
2-Chloro-4-ethylpyrimidine
CID 15783026
N,N-dimethyl-4-propylpyrimidin-2-amine
CID 10820940
4-Isopropyl-N,N-dimethylpyrimidin-2-amine
CID 10820941
4-tert-butyl-N,N-dimethylpyrimidin-2-amine
CID 12450609
4-ethyl-N,N-dimethylpyrimidin-2-amine
CID 44347601
4-Isobutylpyrimidine
CID 565104
4-Cyclohexylpyrimidine
CID 11672715
2-Chloro-4-cyclopropylpyrimidine
CID 24901915
2-Chloro-4-isopropylpyrimidine
CID 24901916
4-Butyl-6-chloropyrimidine
CID 33676399
4-Butylpyrimidin-2-amine
CID 68303122

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloropentyl)-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(2-chloropentyl)-N,N-dimethylpyrimidin-2-amine (CID 64829137) is 4-(2-chloropentyl)-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-chloropentyl)-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(2-chloropentyl)-N,N-dimethylpyrimidin-2-amine is CCCC(Cl)Cc1ccnc(N(C)C)n1.
What is the InChIKey of 4-(2-chloropentyl)-N,N-dimethylpyrimidin-2-amine?
The InChIKey is XOJPEGGBMOMXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-4-5-9(12)8-10-6-7-13-11(14-10)15(2)3/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 4-(2-chloropentyl)-N,N-dimethylpyrimidin-2-amine?
4-(2-chloropentyl)-N,N-dimethylpyrimidin-2-amine has a molecular weight of 227.74 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloropentyl)-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 64829137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).