4-N-benzyl-6-N-[2-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine

C20H21ClN4 — CID 112859467

IUPAC4-N-benzyl-6-N-[2-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine
SMILESCN(Cc1ccccc1)c1cc(NCCc2cccc(Cl)c2)ncn1
InChIInChI=1S/C20H21ClN4/c1-25(14-17-6-3-2-4-7-17)20-13-19(23-15-24-20)22-11-10-16-8-5-9-18(21)12-16/h2-9,12-13,15H,10-11,14H2,1H3,(H,22,23,24)
InChIKeyLPTPPRPXYHJFLN-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.42
Rot. Bonds7

About 4-N-benzyl-6-N-[2-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine

4-N-benzyl-6-N-[2-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine (PubChem CID 112859467) has the molecular formula C20H21ClN4 and a molecular weight of 352.87 g/mol. Its IUPAC name is 4-N-benzyl-6-N-[2-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-N-[2-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine
PubChem CID112859467
Molecular FormulaC20H21ClN4
Molecular Weight352.87 g/mol
Exact Mass352.15
IUPAC Name4-N-benzyl-6-N-[2-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine
SMILESCN(Cc1ccccc1)c1cc(NCCc2cccc(Cl)c2)ncn1
InChIInChI=1S/C20H21ClN4/c1-25(14-17-6-3-2-4-7-17)20-13-19(23-15-24-20)22-11-10-16-8-5-9-18(21)12-16/h2-9,12-13,15H,10-11,14H2,1H3,(H,22,23,24)
InChIKeyLPTPPRPXYHJFLN-UHFFFAOYSA-N
XLogP4.42
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-6-N-(3-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112859491
2-N-benzyl-4-N-[2-(3-chlorophenyl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112917093
4-N-benzyl-6-N-[2-(1H-indol-3-yl)ethyl]-4-N-methylpyrimidine-4,6-diamine
CID 112859437
6-[2-(3-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350566
N-[(3-chlorophenyl)methyl]-6-fluoro-N-methylpyrimidin-4-amine
CID 115416604
4-N-benzyl-4-N-ethyl-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112860466
4-N-methyl-6-N-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80787031
4-N-benzyl-4-N-methyl-6-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112859471
4-N-benzyl-4-N-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112859473
4-N-benzyl-6-N-(3-bromophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112859531
2-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112901442
N-[2-(3-chlorophenyl)ethyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353519

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-N-[2-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-benzyl-6-N-[2-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine (CID 112859467) is 4-N-benzyl-6-N-[2-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-benzyl-6-N-[2-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-benzyl-6-N-[2-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine is CN(Cc1ccccc1)c1cc(NCCc2cccc(Cl)c2)ncn1.
What is the InChIKey of 4-N-benzyl-6-N-[2-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is LPTPPRPXYHJFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4/c1-25(14-17-6-3-2-4-7-17)20-13-19(23-15-24-20)22-11-10-16-8-5-9-18(21)12-16/h2-9,12-13,15H,10-11,14H2,1H3,(H,22,23,24).
What are the key properties of 4-N-benzyl-6-N-[2-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine?
4-N-benzyl-6-N-[2-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 352.87 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-N-[2-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112859467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).