6-N-[2-(4-chlorophenyl)ethyl]-4-(2-methylphenyl)-1,4-dihydropyrimidine-2,6-diamine

C19H21ClN4 — CID 118567933

IUPAC6-N-[2-(4-chlorophenyl)ethyl]-4-(2-methylphenyl)-1,4-dihydropyrimidine-2,6-diamine
SMILESCc1ccccc1C1C=C(NCCc2ccc(Cl)cc2)NC(N)=N1
InChIInChI=1S/C19H21ClN4/c1-13-4-2-3-5-16(13)17-12-18(24-19(21)23-17)22-11-10-14-6-8-15(20)9-7-14/h2-9,12,17,22H,10-11H2,1H3,(H3,21,23,24)
InChIKeyCERLGYFGFORJLC-UHFFFAOYSA-N
MW340.86 g/mol
LogP3.28
Rot. Bonds5

About 6-N-[2-(4-chlorophenyl)ethyl]-4-(2-methylphenyl)-1,4-dihydropyrimidine-2,6-diamine

6-N-[2-(4-chlorophenyl)ethyl]-4-(2-methylphenyl)-1,4-dihydropyrimidine-2,6-diamine (PubChem CID 118567933) has the molecular formula C19H21ClN4 and a molecular weight of 340.86 g/mol. Its IUPAC name is 6-N-[2-(4-chlorophenyl)ethyl]-4-(2-methylphenyl)-1,4-dihydropyrimidine-2,6-diamine.

Molecular Properties

Compound Name6-N-[2-(4-chlorophenyl)ethyl]-4-(2-methylphenyl)-1,4-dihydropyrimidine-2,6-diamine
PubChem CID118567933
Molecular FormulaC19H21ClN4
Molecular Weight340.86 g/mol
Exact Mass340.15
IUPAC Name6-N-[2-(4-chlorophenyl)ethyl]-4-(2-methylphenyl)-1,4-dihydropyrimidine-2,6-diamine
SMILESCc1ccccc1C1C=C(NCCc2ccc(Cl)cc2)NC(N)=N1
InChIInChI=1S/C19H21ClN4/c1-13-4-2-3-5-16(13)17-12-18(24-19(21)23-17)22-11-10-14-6-8-15(20)9-7-14/h2-9,12,17,22H,10-11H2,1H3,(H3,21,23,24)
InChIKeyCERLGYFGFORJLC-UHFFFAOYSA-N
XLogP3.28
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(4-chlorophenyl)ethyl]-4-(2-methylphenyl)-1,4-dihydropyrimidine-2,6-diamine?
The IUPAC name of 6-N-[2-(4-chlorophenyl)ethyl]-4-(2-methylphenyl)-1,4-dihydropyrimidine-2,6-diamine (CID 118567933) is 6-N-[2-(4-chlorophenyl)ethyl]-4-(2-methylphenyl)-1,4-dihydropyrimidine-2,6-diamine.
What is the SMILES notation for 6-N-[2-(4-chlorophenyl)ethyl]-4-(2-methylphenyl)-1,4-dihydropyrimidine-2,6-diamine?
The canonical SMILES for 6-N-[2-(4-chlorophenyl)ethyl]-4-(2-methylphenyl)-1,4-dihydropyrimidine-2,6-diamine is Cc1ccccc1C1C=C(NCCc2ccc(Cl)cc2)NC(N)=N1.
What is the InChIKey of 6-N-[2-(4-chlorophenyl)ethyl]-4-(2-methylphenyl)-1,4-dihydropyrimidine-2,6-diamine?
The InChIKey is CERLGYFGFORJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4/c1-13-4-2-3-5-16(13)17-12-18(24-19(21)23-17)22-11-10-14-6-8-15(20)9-7-14/h2-9,12,17,22H,10-11H2,1H3,(H3,21,23,24).
What are the key properties of 6-N-[2-(4-chlorophenyl)ethyl]-4-(2-methylphenyl)-1,4-dihydropyrimidine-2,6-diamine?
6-N-[2-(4-chlorophenyl)ethyl]-4-(2-methylphenyl)-1,4-dihydropyrimidine-2,6-diamine has a molecular weight of 340.86 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(4-chlorophenyl)ethyl]-4-(2-methylphenyl)-1,4-dihydropyrimidine-2,6-diamine is sourced from PubChem (CID 118567933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).