4-N-benzyl-6-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine

C20H21ClN4 — CID 112871519

IUPAC4-N-benzyl-6-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(NCCc2ccc(Cl)cc2)cc(NCc2ccccc2)n1
InChIInChI=1S/C20H21ClN4/c1-15-24-19(22-12-11-16-7-9-18(21)10-8-16)13-20(25-15)23-14-17-5-3-2-4-6-17/h2-10,13H,11-12,14H2,1H3,(H2,22,23,24,25)
InChIKeyFAAXUBQAIQLYSN-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.71
Rot. Bonds7

About 4-N-benzyl-6-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine

4-N-benzyl-6-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine (PubChem CID 112871519) has the molecular formula C20H21ClN4 and a molecular weight of 352.87 g/mol. Its IUPAC name is 4-N-benzyl-6-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
PubChem CID112871519
Molecular FormulaC20H21ClN4
Molecular Weight352.87 g/mol
Exact Mass352.15
IUPAC Name4-N-benzyl-6-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(NCCc2ccc(Cl)cc2)cc(NCc2ccccc2)n1
InChIInChI=1S/C20H21ClN4/c1-15-24-19(22-12-11-16-7-9-18(21)10-8-16)13-20(25-15)23-14-17-5-3-2-4-6-17/h2-10,13H,11-12,14H2,1H3,(H2,22,23,24,25)
InChIKeyFAAXUBQAIQLYSN-UHFFFAOYSA-N
XLogP4.71
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(4-chlorophenyl)methyl]-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112872700
4-N-[(4-chlorophenyl)methyl]-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112870195
6-N-[2-(4-chlorophenyl)ethyl]-2-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112874922
4-N-[(4-methoxyphenyl)methyl]-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112872921
4-N-tert-butyl-6-N-[(4-chlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872702
2-N-[(4-chlorophenyl)methyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112918090
6-N-[2-(4-chlorophenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859177
N-benzyl-2-methyl-6-phenylpyrimidin-4-amine
CID 16957885
6-ethyl-2-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 65418225
2-methyl-4-N-(4-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112873723
4-N-benzyl-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine
CID 112870518
4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-[2-(3-chlorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112873047

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-benzyl-6-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine (CID 112871519) is 4-N-benzyl-6-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-benzyl-6-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-benzyl-6-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine is Cc1nc(NCCc2ccc(Cl)cc2)cc(NCc2ccccc2)n1.
What is the InChIKey of 4-N-benzyl-6-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
The InChIKey is FAAXUBQAIQLYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4/c1-15-24-19(22-12-11-16-7-9-18(21)10-8-16)13-20(25-15)23-14-17-5-3-2-4-6-17/h2-10,13H,11-12,14H2,1H3,(H2,22,23,24,25).
What are the key properties of 4-N-benzyl-6-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
4-N-benzyl-6-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine has a molecular weight of 352.87 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112871519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).