N-(3-chloro-2,2-dimethylcyclobutyl)-6-propylpyrimidin-4-amine

C13H20ClN3 — CID 114632109

IUPACN-(3-chloro-2,2-dimethylcyclobutyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC2CC(Cl)C2(C)C)ncn1
InChIInChI=1S/C13H20ClN3/c1-4-5-9-6-12(16-8-15-9)17-11-7-10(14)13(11,2)3/h6,8,10-11H,4-5,7H2,1-3H3,(H,15,16,17)
InChIKeyZWRFVCXAMHSRAM-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.25
Rot. Bonds4

About N-(3-chloro-2,2-dimethylcyclobutyl)-6-propylpyrimidin-4-amine

N-(3-chloro-2,2-dimethylcyclobutyl)-6-propylpyrimidin-4-amine (PubChem CID 114632109) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is N-(3-chloro-2,2-dimethylcyclobutyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2,2-dimethylcyclobutyl)-6-propylpyrimidin-4-amine
PubChem CID114632109
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC NameN-(3-chloro-2,2-dimethylcyclobutyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC2CC(Cl)C2(C)C)ncn1
InChIInChI=1S/C13H20ClN3/c1-4-5-9-6-12(16-8-15-9)17-11-7-10(14)13(11,2)3/h6,8,10-11H,4-5,7H2,1-3H3,(H,15,16,17)
InChIKeyZWRFVCXAMHSRAM-UHFFFAOYSA-N
XLogP3.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2,2-dimethylcyclobutyl)-6-propoxypyrimidin-4-amine
CID 114632018
N-(2-methylcyclopropyl)-6-propylpyrimidin-4-amine
CID 62398962
6-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 79363066
N-(cyclobutylmethyl)-6-propylpyrimidin-4-amine
CID 61241873
N-(3-ethylsulfanylcyclopentyl)-6-propylpyrimidin-4-amine
CID 114124106
9-methyl-N-(6-propylpyrimidin-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470895
N-(2-methyloxolan-3-yl)-6-propylpyrimidin-4-amine
CID 82728065
2,2-dimethyl-3-[[6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 114632888
N-(6-propylpyrimidin-4-yl)azepan-4-amine
CID 107173664
2,2-dimethyl-1-N-(6-propoxypyrimidin-4-yl)cyclobutane-1,3-diamine
CID 114632753
N-[1-(chloromethyl)cyclopentyl]-6-propylpyrimidin-4-amine
CID 65028976
1-cyclopropyl-N-(6-propylpyrimidin-4-yl)ethane-1,2-diamine
CID 65188516

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,2-dimethylcyclobutyl)-6-propylpyrimidin-4-amine?
The IUPAC name of N-(3-chloro-2,2-dimethylcyclobutyl)-6-propylpyrimidin-4-amine (CID 114632109) is N-(3-chloro-2,2-dimethylcyclobutyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-2,2-dimethylcyclobutyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-2,2-dimethylcyclobutyl)-6-propylpyrimidin-4-amine is CCCc1cc(NC2CC(Cl)C2(C)C)ncn1.
What is the InChIKey of N-(3-chloro-2,2-dimethylcyclobutyl)-6-propylpyrimidin-4-amine?
The InChIKey is ZWRFVCXAMHSRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-4-5-9-6-12(16-8-15-9)17-11-7-10(14)13(11,2)3/h6,8,10-11H,4-5,7H2,1-3H3,(H,15,16,17).
What are the key properties of N-(3-chloro-2,2-dimethylcyclobutyl)-6-propylpyrimidin-4-amine?
N-(3-chloro-2,2-dimethylcyclobutyl)-6-propylpyrimidin-4-amine has a molecular weight of 253.78 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,2-dimethylcyclobutyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 114632109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).