2-N-cyclohexyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine

C17H20Cl2N4 — CID 112910660

IUPAC2-N-cyclohexyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2c(Cl)cccc2Cl)nc(NC2CCCCC2)n1
InChIInChI=1S/C17H20Cl2N4/c1-11-10-15(22-16-13(18)8-5-9-14(16)19)23-17(20-11)21-12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7H2,1H3,(H2,20,21,22,23)
InChIKeyUXZFPWYDZLVVAM-UHFFFAOYSA-N
MW351.28 g/mol
LogP5.58
Rot. Bonds4

About 2-N-cyclohexyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine

2-N-cyclohexyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112910660) has the molecular formula C17H20Cl2N4 and a molecular weight of 351.28 g/mol. Its IUPAC name is 2-N-cyclohexyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112910660
Molecular FormulaC17H20Cl2N4
Molecular Weight351.28 g/mol
Exact Mass350.11
IUPAC Name2-N-cyclohexyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2c(Cl)cccc2Cl)nc(NC2CCCCC2)n1
InChIInChI=1S/C17H20Cl2N4/c1-11-10-15(22-16-13(18)8-5-9-14(16)19)23-17(20-11)21-12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7H2,1H3,(H2,20,21,22,23)
InChIKeyUXZFPWYDZLVVAM-UHFFFAOYSA-N
XLogP5.58
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.28
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-chlorophenyl)-2-N-cyclopentyl-6-methylpyrimidine-2,4-diamine
CID 112909893
4-N-(4-chlorophenyl)-2-N-cycloheptyl-6-methylpyrimidine-2,4-diamine
CID 112924981
4-N-(2,6-dichlorophenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907386
4-N-(3-chloro-4-methoxyphenyl)-2-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 112910612
2-N-cyclopentyl-6-methyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112909930
2-N-cyclohexyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112910587
2-N-(4-chlorophenyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 112910433
2-N-cycloheptyl-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112925031
N-[3-[[2-(cyclopentylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112909921
4-N-cycloheptyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112924879
2-N-cyclopentyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112909873
4-N-(3-chloro-4-methylphenyl)-2-N-cyclopropyl-6-methylpyrimidine-2,4-diamine
CID 112907619

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclohexyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine (CID 112910660) is 2-N-cyclohexyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclohexyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclohexyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine is Cc1cc(Nc2c(Cl)cccc2Cl)nc(NC2CCCCC2)n1.
What is the InChIKey of 2-N-cyclohexyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is UXZFPWYDZLVVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4/c1-11-10-15(22-16-13(18)8-5-9-14(16)19)23-17(20-11)21-12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7H2,1H3,(H2,20,21,22,23).
What are the key properties of 2-N-cyclohexyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine?
2-N-cyclohexyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 351.28 g/mol, XLogP of 5.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112910660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).