5-bromo-6-cyclopropyl-N-methyl-2-(2-methylpropyl)pyrimidin-4-amine

C12H18BrN3 — CID 66302948

IUPAC5-bromo-6-cyclopropyl-N-methyl-2-(2-methylpropyl)pyrimidin-4-amine
SMILESCNc1nc(CC(C)C)nc(C2CC2)c1Br
InChIInChI=1S/C12H18BrN3/c1-7(2)6-9-15-11(8-4-5-8)10(13)12(14-3)16-9/h7-8H,4-6H2,1-3H3,(H,14,15,16)
InChIKeySKWZHZXMQZUESI-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.36
Rot. Bonds4

About 5-bromo-6-cyclopropyl-N-methyl-2-(2-methylpropyl)pyrimidin-4-amine

5-bromo-6-cyclopropyl-N-methyl-2-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 66302948) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-N-methyl-2-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-N-methyl-2-(2-methylpropyl)pyrimidin-4-amine
PubChem CID66302948
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name5-bromo-6-cyclopropyl-N-methyl-2-(2-methylpropyl)pyrimidin-4-amine
SMILESCNc1nc(CC(C)C)nc(C2CC2)c1Br
InChIInChI=1S/C12H18BrN3/c1-7(2)6-9-15-11(8-4-5-8)10(13)12(14-3)16-9/h7-8H,4-6H2,1-3H3,(H,14,15,16)
InChIKeySKWZHZXMQZUESI-UHFFFAOYSA-N
XLogP3.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-6-cyclopropyl-N-methyl-2-(2-methylpropyl)pyrimidin-4-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-bromo-6-cyclopropyl-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 66302752
5-bromo-6-cyclopropyl-2-(2-methoxyethyl)-N-methylpyrimidin-4-amine
CID 66301916
5-bromo-6-cyclopropyl-2-[2-(diethylamino)ethyl]-N-methylpyrimidin-4-amine
CID 66303763
5-bromo-6-cyclopropyl-2-[(3,5-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine
CID 66302748
5-bromo-6-cyclopropyl-N-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66304381
5-bromo-6-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]-N-methylpyrimidin-4-amine
CID 102928957
5-bromo-6-cyclopropyl-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine
CID 66301720
5-bromo-2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 114331016
5-bromo-6-cyclopropyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
CID 66304180
5-bromo-6-cyclopropyl-2-(4-fluorophenyl)-N-methylpyrimidin-4-amine
CID 66304168
5-bromo-6-cyclopropyl-N-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 66296102
6-cyclopropyl-5-iodo-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 66301958

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-N-methyl-2-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-N-methyl-2-(2-methylpropyl)pyrimidin-4-amine (CID 66302948) is 5-bromo-6-cyclopropyl-N-methyl-2-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-N-methyl-2-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-N-methyl-2-(2-methylpropyl)pyrimidin-4-amine is CNc1nc(CC(C)C)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-6-cyclopropyl-N-methyl-2-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is SKWZHZXMQZUESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-7(2)6-9-15-11(8-4-5-8)10(13)12(14-3)16-9/h7-8H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of 5-bromo-6-cyclopropyl-N-methyl-2-(2-methylpropyl)pyrimidin-4-amine?
5-bromo-6-cyclopropyl-N-methyl-2-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 284.20 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-N-methyl-2-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 66302948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).