5-chloro-4-N-[(1-methylcyclopropyl)methyl]pyrimidine-4,6-diamine

C9H13ClN4 — CID 106812191

IUPAC5-chloro-4-N-[(1-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
SMILESCC1(CNc2ncnc(N)c2Cl)CC1
InChIInChI=1S/C9H13ClN4/c1-9(2-3-9)4-12-8-6(10)7(11)13-5-14-8/h5H,2-4H2,1H3,(H3,11,12,13,14)
InChIKeyIFHICQSGVAADIL-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.92
Rot. Bonds3

About 5-chloro-4-N-[(1-methylcyclopropyl)methyl]pyrimidine-4,6-diamine

5-chloro-4-N-[(1-methylcyclopropyl)methyl]pyrimidine-4,6-diamine (PubChem CID 106812191) has the molecular formula C9H13ClN4 and a molecular weight of 212.68 g/mol. Its IUPAC name is 5-chloro-4-N-[(1-methylcyclopropyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[(1-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
PubChem CID106812191
Molecular FormulaC9H13ClN4
Molecular Weight212.68 g/mol
Exact Mass212.08
IUPAC Name5-chloro-4-N-[(1-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
SMILESCC1(CNc2ncnc(N)c2Cl)CC1
InChIInChI=1S/C9H13ClN4/c1-9(2-3-9)4-12-8-6(10)7(11)13-5-14-8/h5H,2-4H2,1H3,(H3,11,12,13,14)
InChIKeyIFHICQSGVAADIL-UHFFFAOYSA-N
XLogP1.92
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-N-[(1-methylcyclopropyl)methyl]pyrimidine-4,6-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

5-chloro-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 106812270
5-chloro-4-N-[(1-methylsulfanylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 114117730
5-chloro-4-N-[(1-methoxycyclobutyl)methyl]pyrimidine-4,6-diamine
CID 106812371
5-chloro-4-N-(2,2-dimethylpropyl)pyrimidine-4,6-diamine
CID 106811895
3-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 114143769
5-chloro-4-N-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]pyrimidine-4,6-diamine
CID 129320709
6-chloro-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 63831983
(2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]propan-2-ol
CID 130619296
5-chloro-4-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 106811696
5-chloro-4-N-[2-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 106811925
3-[(6-amino-5-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 106198207
5-chloro-4-N-(3,3-dimethylcyclopentyl)pyrimidine-4,6-diamine
CID 106812350

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[(1-methylcyclopropyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-[(1-methylcyclopropyl)methyl]pyrimidine-4,6-diamine (CID 106812191) is 5-chloro-4-N-[(1-methylcyclopropyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-[(1-methylcyclopropyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-[(1-methylcyclopropyl)methyl]pyrimidine-4,6-diamine is CC1(CNc2ncnc(N)c2Cl)CC1.
What is the InChIKey of 5-chloro-4-N-[(1-methylcyclopropyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is IFHICQSGVAADIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4/c1-9(2-3-9)4-12-8-6(10)7(11)13-5-14-8/h5H,2-4H2,1H3,(H3,11,12,13,14).
What are the key properties of 5-chloro-4-N-[(1-methylcyclopropyl)methyl]pyrimidine-4,6-diamine?
5-chloro-4-N-[(1-methylcyclopropyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 212.68 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[(1-methylcyclopropyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 106812191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).