4-N-[(3-chlorophenyl)methyl]-2-cyclopropyl-4-N-methylpyrimidine-4,6-diamine

C15H17ClN4 — CID 80960822

IUPAC4-N-[(3-chlorophenyl)methyl]-2-cyclopropyl-4-N-methylpyrimidine-4,6-diamine
SMILESCN(Cc1cccc(Cl)c1)c1cc(N)nc(C2CC2)n1
InChIInChI=1S/C15H17ClN4/c1-20(9-10-3-2-4-12(16)7-10)14-8-13(17)18-15(19-14)11-5-6-11/h2-4,7-8,11H,5-6,9H2,1H3,(H2,17,18,19)
InChIKeyZKHBIRZDSQIMTM-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.23
Rot. Bonds4

About 4-N-[(3-chlorophenyl)methyl]-2-cyclopropyl-4-N-methylpyrimidine-4,6-diamine

4-N-[(3-chlorophenyl)methyl]-2-cyclopropyl-4-N-methylpyrimidine-4,6-diamine (PubChem CID 80960822) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-N-[(3-chlorophenyl)methyl]-2-cyclopropyl-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(3-chlorophenyl)methyl]-2-cyclopropyl-4-N-methylpyrimidine-4,6-diamine
PubChem CID80960822
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name4-N-[(3-chlorophenyl)methyl]-2-cyclopropyl-4-N-methylpyrimidine-4,6-diamine
SMILESCN(Cc1cccc(Cl)c1)c1cc(N)nc(C2CC2)n1
InChIInChI=1S/C15H17ClN4/c1-20(9-10-3-2-4-12(16)7-10)14-8-13(17)18-15(19-14)11-5-6-11/h2-4,7-8,11H,5-6,9H2,1H3,(H2,17,18,19)
InChIKeyZKHBIRZDSQIMTM-UHFFFAOYSA-N
XLogP3.23
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-N-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 80967612
6-chloro-2-cyclopropyl-N-methyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 80953491
6-N-[(3-chlorophenyl)methyl]-6-N-methylpyridine-2,6-diamine
CID 80646738
2-cyclopropyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80959909
4-N-[(3-chlorophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564313
2-cyclopropyl-4-N-[(3-fluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80956101
6-chloro-2-cyclopropyl-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpyrimidin-4-amine
CID 133416487
6-chloro-2-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine
CID 80953931
2-cyclopropyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80959527
4-N-benzyl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80949319
2-cyclopropyl-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80955502
6-(chloromethyl)-N-[(3-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 62255532

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-chlorophenyl)methyl]-2-cyclopropyl-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(3-chlorophenyl)methyl]-2-cyclopropyl-4-N-methylpyrimidine-4,6-diamine (CID 80960822) is 4-N-[(3-chlorophenyl)methyl]-2-cyclopropyl-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(3-chlorophenyl)methyl]-2-cyclopropyl-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(3-chlorophenyl)methyl]-2-cyclopropyl-4-N-methylpyrimidine-4,6-diamine is CN(Cc1cccc(Cl)c1)c1cc(N)nc(C2CC2)n1.
What is the InChIKey of 4-N-[(3-chlorophenyl)methyl]-2-cyclopropyl-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is ZKHBIRZDSQIMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c1-20(9-10-3-2-4-12(16)7-10)14-8-13(17)18-15(19-14)11-5-6-11/h2-4,7-8,11H,5-6,9H2,1H3,(H2,17,18,19).
What are the key properties of 4-N-[(3-chlorophenyl)methyl]-2-cyclopropyl-4-N-methylpyrimidine-4,6-diamine?
4-N-[(3-chlorophenyl)methyl]-2-cyclopropyl-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 288.78 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-chlorophenyl)methyl]-2-cyclopropyl-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80960822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).