5-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine

C13H20ClN3 — CID 83184931

IUPAC5-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCc1nc(N(CC(C)C)C2CC2)ncc1CCl
InChIInChI=1S/C13H20ClN3/c1-9(2)8-17(12-4-5-12)13-15-7-11(6-14)10(3)16-13/h7,9,12H,4-6,8H2,1-3H3
InChIKeyLZQZGGJXYJHGIO-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.15
Rot. Bonds5

About 5-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine

5-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine (PubChem CID 83184931) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 5-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine
PubChem CID83184931
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name5-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCc1nc(N(CC(C)C)C2CC2)ncc1CCl
InChIInChI=1S/C13H20ClN3/c1-9(2)8-17(12-4-5-12)13-15-7-11(6-14)10(3)16-13/h7,9,12H,4-6,8H2,1-3H3
InChIKeyLZQZGGJXYJHGIO-UHFFFAOYSA-N
XLogP3.15
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(aminomethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 83185973
5-[(tert-butylamino)methyl]-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 83178532
5-(chloromethyl)-N-cycloheptyl-N,4-dimethylpyrimidin-2-amine
CID 83184574
5-(aminomethyl)-N-cyclopentyl-4-methyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 83189626
[2-[cyclopropyl(ethyl)amino]-4-methylpyrimidin-5-yl]methanol
CID 83183763
N-cyclopropyl-4-methyl-5-[(2-methylpropylamino)methyl]-N-propylpyrimidin-2-amine
CID 83185783
4-(chloromethyl)-N-cyclopropyl-N-(2-methylpropyl)pyridin-3-amine
CID 105067384
5-(chloromethyl)-N-cyclopropyl-3-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 80629436
5-(chloromethyl)-N,4-dimethyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 83183810
N-tert-butyl-5-(chloromethyl)-N,4-dimethylpyrimidin-2-amine
CID 130993339
2-[cyclopentyl(2-methylpropyl)amino]pyrimidine-5-carbaldehyde
CID 113387676
N-cyclopropyl-N-(cyclopropylmethyl)-5-(ethylaminomethyl)-4-methylpyrimidin-2-amine
CID 83189085

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine?
The IUPAC name of 5-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine (CID 83184931) is 5-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine is Cc1nc(N(CC(C)C)C2CC2)ncc1CCl.
What is the InChIKey of 5-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine?
The InChIKey is LZQZGGJXYJHGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-9(2)8-17(12-4-5-12)13-15-7-11(6-14)10(3)16-13/h7,9,12H,4-6,8H2,1-3H3.
What are the key properties of 5-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine?
5-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine has a molecular weight of 253.78 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 83184931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).