6-bromo-2-N-(cyclopropylmethyl)-2-N-methylpyrimidine-2,4-diamine

C9H13BrN4 — CID 116796497

IUPAC6-bromo-2-N-(cyclopropylmethyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCN(CC1CC1)c1nc(N)cc(Br)n1
InChIInChI=1S/C9H13BrN4/c1-14(5-6-2-3-6)9-12-7(10)4-8(11)13-9/h4,6H,2-3,5H2,1H3,(H2,11,12,13)
InChIKeyZFAVLGHKYDZOGW-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.67
Rot. Bonds3

About 6-bromo-2-N-(cyclopropylmethyl)-2-N-methylpyrimidine-2,4-diamine

6-bromo-2-N-(cyclopropylmethyl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 116796497) has the molecular formula C9H13BrN4 and a molecular weight of 257.13 g/mol. Its IUPAC name is 6-bromo-2-N-(cyclopropylmethyl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-2-N-(cyclopropylmethyl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID116796497
Molecular FormulaC9H13BrN4
Molecular Weight257.13 g/mol
Exact Mass256.03
IUPAC Name6-bromo-2-N-(cyclopropylmethyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCN(CC1CC1)c1nc(N)cc(Br)n1
InChIInChI=1S/C9H13BrN4/c1-14(5-6-2-3-6)9-12-7(10)4-8(11)13-9/h4,6H,2-3,5H2,1H3,(H2,11,12,13)
InChIKeyZFAVLGHKYDZOGW-UHFFFAOYSA-N
XLogP1.67
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-2-N-(cyclopropylmethyl)-2-N-methylpyrimidine-2,4-diamine 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

6-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 116796564
6-bromo-2-N-ethyl-2-N-methylpyrimidine-2,4-diamine
CID 116796401
6-bromo-2-N-cyclobutyl-2-N-methylpyrimidine-2,4-diamine
CID 116797489
6-bromo-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 116796487
2-N-benzyl-6-bromo-2-N-methylpyrimidine-2,4-diamine
CID 116796269
6-bromo-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine
CID 116797087
4-[[(4-amino-6-bromopyrimidin-2-yl)-methylamino]methyl]oxan-4-ol
CID 114953948
6-bromo-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 116796517
3-N-(cyclopropylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
CID 66276657
2-tert-butyl-4-N-(cyclopropylmethyl)-4-N-methylpyrimidine-4,6-diamine
CID 80967726
4-bromo-2-N-(cyclopropylmethyl)-5-fluoro-2-N-methylbenzene-1,2-diamine
CID 116735579
6-bromo-2-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine
CID 116795981

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-N-(cyclopropylmethyl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-2-N-(cyclopropylmethyl)-2-N-methylpyrimidine-2,4-diamine (CID 116796497) is 6-bromo-2-N-(cyclopropylmethyl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-2-N-(cyclopropylmethyl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-2-N-(cyclopropylmethyl)-2-N-methylpyrimidine-2,4-diamine is CN(CC1CC1)c1nc(N)cc(Br)n1.
What is the InChIKey of 6-bromo-2-N-(cyclopropylmethyl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is ZFAVLGHKYDZOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4/c1-14(5-6-2-3-6)9-12-7(10)4-8(11)13-9/h4,6H,2-3,5H2,1H3,(H2,11,12,13).
What are the key properties of 6-bromo-2-N-(cyclopropylmethyl)-2-N-methylpyrimidine-2,4-diamine?
6-bromo-2-N-(cyclopropylmethyl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 257.13 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-N-(cyclopropylmethyl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 116796497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).