2-N-[2-(4-chlorophenyl)ethyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine

C21H23ClN4 — CID 112916089

IUPAC2-N-[2-(4-chlorophenyl)ethyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCc1cccc(CNc2cc(C)nc(NCCc3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C21H23ClN4/c1-15-4-3-5-18(12-15)14-24-20-13-16(2)25-21(26-20)23-11-10-17-6-8-19(22)9-7-17/h3-9,12-13H,10-11,14H2,1-2H3,(H2,23,24,25,26)
InChIKeyXNKTUWBMCLQJQP-UHFFFAOYSA-N
MW366.90 g/mol
LogP5.01
Rot. Bonds7

About 2-N-[2-(4-chlorophenyl)ethyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine

2-N-[2-(4-chlorophenyl)ethyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 112916089) has the molecular formula C21H23ClN4 and a molecular weight of 366.90 g/mol. Its IUPAC name is 2-N-[2-(4-chlorophenyl)ethyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(4-chlorophenyl)ethyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID112916089
Molecular FormulaC21H23ClN4
Molecular Weight366.90 g/mol
Exact Mass366.16
IUPAC Name2-N-[2-(4-chlorophenyl)ethyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCc1cccc(CNc2cc(C)nc(NCCc3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C21H23ClN4/c1-15-4-3-5-18(12-15)14-24-20-13-16(2)25-21(26-20)23-11-10-17-6-8-19(22)9-7-17/h3-9,12-13H,10-11,14H2,1-2H3,(H2,23,24,25,26)
InChIKeyXNKTUWBMCLQJQP-UHFFFAOYSA-N
XLogP5.01
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.90
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(4-chlorophenyl)methyl]-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112917972
4-N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80776690
2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112912951
6-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112916211
2-N-[(4-chlorophenyl)methyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112918090
4,6-dimethyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-2-amine
CID 62313023
4-N-(4-chlorophenyl)-2-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112922682
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112918699
4-N-benzyl-2-N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112915519
2-N-tert-butyl-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916103
2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916090
2-N-[2-(3-chlorophenyl)ethyl]-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890023

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-chlorophenyl)ethyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(4-chlorophenyl)ethyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine (CID 112916089) is 2-N-[2-(4-chlorophenyl)ethyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(4-chlorophenyl)ethyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(4-chlorophenyl)ethyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine is Cc1cccc(CNc2cc(C)nc(NCCc3ccc(Cl)cc3)n2)c1.
What is the InChIKey of 2-N-[2-(4-chlorophenyl)ethyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is XNKTUWBMCLQJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4/c1-15-4-3-5-18(12-15)14-24-20-13-16(2)25-21(26-20)23-11-10-17-6-8-19(22)9-7-17/h3-9,12-13H,10-11,14H2,1-2H3,(H2,23,24,25,26).
What are the key properties of 2-N-[2-(4-chlorophenyl)ethyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine?
2-N-[2-(4-chlorophenyl)ethyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 366.90 g/mol, XLogP of 5.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-chlorophenyl)ethyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112916089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).