2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine

C17H23ClN4 — CID 112908583

IUPAC2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCc1cc(C)c(Nc2nc(C)cc(NCC(C)C)n2)c(Cl)c1
InChIInChI=1S/C17H23ClN4/c1-10(2)9-19-15-8-13(5)20-17(21-15)22-16-12(4)6-11(3)7-14(16)18/h6-8,10H,9H2,1-5H3,(H2,19,20,21,22)
InChIKeyHLTVCVQHBRAKPB-UHFFFAOYSA-N
MW318.85 g/mol
LogP4.87
Rot. Bonds5

About 2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine

2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine (PubChem CID 112908583) has the molecular formula C17H23ClN4 and a molecular weight of 318.85 g/mol. Its IUPAC name is 2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
PubChem CID112908583
Molecular FormulaC17H23ClN4
Molecular Weight318.85 g/mol
Exact Mass318.16
IUPAC Name2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCc1cc(C)c(Nc2nc(C)cc(NCC(C)C)n2)c(Cl)c1
InChIInChI=1S/C17H23ClN4/c1-10(2)9-19-15-8-13(5)20-17(21-15)22-16-12(4)6-11(3)7-14(16)18/h6-8,10H,9H2,1-5H3,(H2,19,20,21,22)
InChIKeyHLTVCVQHBRAKPB-UHFFFAOYSA-N
XLogP4.87
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906929
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-(2-chloro-4,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112918735
2-N-tert-butyl-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908535
4-N-(2-chloro-4,6-dimethylphenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918617
2-N-(4-fluorophenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908574
4-N-(2-methoxyethyl)-6-methyl-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112911416
3-N-butan-2-yl-5-N-(2-chloro-4,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112940965
2-N-(2-fluorophenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908573
2-N-[2-(2,4-dichlorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908546
6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908483
4-N-(2-chloro-4,6-dimethylphenyl)-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930220
2-N-(2-chloro-4,6-dimethylphenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893746

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine (CID 112908583) is 2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine is Cc1cc(C)c(Nc2nc(C)cc(NCC(C)C)n2)c(Cl)c1.
What is the InChIKey of 2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The InChIKey is HLTVCVQHBRAKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4/c1-10(2)9-19-15-8-13(5)20-17(21-15)22-16-12(4)6-11(3)7-14(16)18/h6-8,10H,9H2,1-5H3,(H2,19,20,21,22).
What are the key properties of 2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine has a molecular weight of 318.85 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112908583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).