N-(3-chloropropyl)-N-cyclobutylpyrimidin-2-amine

C11H16ClN3 — CID 102871366

IUPACN-(3-chloropropyl)-N-cyclobutylpyrimidin-2-amine
SMILESClCCCN(c1ncccn1)C1CCC1
InChIInChI=1S/C11H16ClN3/c12-6-2-9-15(10-4-1-5-10)11-13-7-3-8-14-11/h3,7-8,10H,1-2,4-6,9H2
InChIKeyPMPFCUAGSOSFSC-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.46
Rot. Bonds5

About N-(3-chloropropyl)-N-cyclobutylpyrimidin-2-amine

N-(3-chloropropyl)-N-cyclobutylpyrimidin-2-amine (PubChem CID 102871366) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-cyclobutylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-cyclobutylpyrimidin-2-amine
PubChem CID102871366
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC NameN-(3-chloropropyl)-N-cyclobutylpyrimidin-2-amine
SMILESClCCCN(c1ncccn1)C1CCC1
InChIInChI=1S/C11H16ClN3/c12-6-2-9-15(10-4-1-5-10)11-13-7-3-8-14-11/h3,7-8,10H,1-2,4-6,9H2
InChIKeyPMPFCUAGSOSFSC-UHFFFAOYSA-N
XLogP2.46
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.46
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

N-(3-chloropropyl)-N-cyclobutyl-4-methoxy-6-methylpyrimidin-2-amine
CID 102871414
N-(2-chloroethyl)-N-cyclopentyl-4-methylpyrimidin-2-amine
CID 63388934
N-(3-chloropropyl)-N-cyclobutyl-5,6-dimethylpyrazin-2-amine
CID 102871463
N-(3-chloropropyl)-N-cyclobutyl-3-methylquinoxalin-2-amine
CID 102871425
N-(3-chloropropyl)-N-cyclobutyl-5-methylpyridin-2-amine
CID 102871477
N-(2-chloroethyl)-N-cyclopentyl-4-methoxypyrimidin-2-amine
CID 63388459
N'-cyclobutyl-N'-pyridin-2-ylpropane-1,3-diamine
CID 102874472
N'-cyclopentyl-N'-(5-iodopyrimidin-2-yl)propane-1,3-diamine
CID 116648233
N-(3-chloropropyl)-N-cyclobutyl-1-methylbenzimidazol-2-amine
CID 102871457
3-[3-chloropropyl(cyclobutyl)amino]-1-propan-2-ylpyrazin-2-one
CID 102871485
N-(3-chloropropyl)-N-cyclobutyl-6-methoxypyrazin-2-amine
CID 102871504
N-(3-chloropropyl)-N-cyclobutyl-2-methylsulfonylaniline
CID 102871484

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-cyclobutylpyrimidin-2-amine?
The IUPAC name of N-(3-chloropropyl)-N-cyclobutylpyrimidin-2-amine (CID 102871366) is N-(3-chloropropyl)-N-cyclobutylpyrimidin-2-amine.
What is the SMILES notation for N-(3-chloropropyl)-N-cyclobutylpyrimidin-2-amine?
The canonical SMILES for N-(3-chloropropyl)-N-cyclobutylpyrimidin-2-amine is ClCCCN(c1ncccn1)C1CCC1.
What is the InChIKey of N-(3-chloropropyl)-N-cyclobutylpyrimidin-2-amine?
The InChIKey is PMPFCUAGSOSFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c12-6-2-9-15(10-4-1-5-10)11-13-7-3-8-14-11/h3,7-8,10H,1-2,4-6,9H2.
What are the key properties of N-(3-chloropropyl)-N-cyclobutylpyrimidin-2-amine?
N-(3-chloropropyl)-N-cyclobutylpyrimidin-2-amine has a molecular weight of 225.72 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-cyclobutylpyrimidin-2-amine is sourced from PubChem (CID 102871366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).