4-N-(2-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine

C16H19ClN4 — CID 80955833

IUPAC4-N-(2-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2ccccc2Cl)nc(C2CC2)n1
InChIInChI=1S/C16H19ClN4/c1-2-9-18-14-10-15(21-16(20-14)11-7-8-11)19-13-6-4-3-5-12(13)17/h3-6,10-11H,2,7-9H2,1H3,(H2,18,19,20,21)
InChIKeyBOVZJGSMSMCPPW-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.57
Rot. Bonds6

About 4-N-(2-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine

4-N-(2-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80955833) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-N-(2-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80955833
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name4-N-(2-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2ccccc2Cl)nc(C2CC2)n1
InChIInChI=1S/C16H19ClN4/c1-2-9-18-14-10-15(21-16(20-14)11-7-8-11)19-13-6-4-3-5-12(13)17/h3-6,10-11H,2,7-9H2,1H3,(H2,18,19,20,21)
InChIKeyBOVZJGSMSMCPPW-UHFFFAOYSA-N
XLogP4.57
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(2-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-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

4-N-(2-bromophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80956080
4-N-(4-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80955948
2-cyclopropyl-6-(2,3-dichlorophenyl)-N-propylpyrimidin-4-amine
CID 80949471
4-N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80957024
4-N-(2-chloro-5-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 107638910
4-N-(2-chloro-4-iodophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 107604736
2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N-propylpyrimidine-4,6-diamine
CID 102807870
2-N-(2-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881842
4-N-(2-chlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 84501147
6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-propylpyrimidin-4-amine
CID 80962862
2-cyclopropyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine
CID 80952552
4-N-(2-chloro-6-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80958496

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine (CID 80955833) is 4-N-(2-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(Nc2ccccc2Cl)nc(C2CC2)n1.
What is the InChIKey of 4-N-(2-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is BOVZJGSMSMCPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c1-2-9-18-14-10-15(21-16(20-14)11-7-8-11)19-13-6-4-3-5-12(13)17/h3-6,10-11H,2,7-9H2,1H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(2-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 302.81 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80955833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).