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

C20H21ClN4 — CID 112859177

IUPAC6-N-[2-(4-chlorophenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCc1ccc(CNc2cc(NCCc3ccc(Cl)cc3)ncn2)cc1
InChIInChI=1S/C20H21ClN4/c1-15-2-4-17(5-3-15)13-23-20-12-19(24-14-25-20)22-11-10-16-6-8-18(21)9-7-16/h2-9,12,14H,10-11,13H2,1H3,(H2,22,23,24,25)
InChIKeySYYXHDHWFPQFMJ-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.71
Rot. Bonds7

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

6-N-[2-(4-chlorophenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine (PubChem CID 112859177) has the molecular formula C20H21ClN4 and a molecular weight of 352.87 g/mol. Its IUPAC name is 6-N-[2-(4-chlorophenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-(4-chlorophenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
PubChem CID112859177
Molecular FormulaC20H21ClN4
Molecular Weight352.87 g/mol
Exact Mass352.15
IUPAC Name6-N-[2-(4-chlorophenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCc1ccc(CNc2cc(NCCc3ccc(Cl)cc3)ncn2)cc1
InChIInChI=1S/C20H21ClN4/c1-15-2-4-17(5-3-15)13-23-20-12-19(24-14-25-20)22-11-10-16-6-8-18(21)9-7-16/h2-9,12,14H,10-11,13H2,1H3,(H2,22,23,24,25)
InChIKeySYYXHDHWFPQFMJ-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-[2-[[6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112859175
N-[2-(4-chlorophenyl)ethyl]-6-hydrazinylpyrimidin-4-amine
CID 80899019
6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine
CID 60726986
N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327633
6-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109352342
6-N-[2-(4-methoxyphenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860204
[6-[2-(4-methylphenyl)ethylamino]pyrimidin-4-yl]cyanamide
CID 115264702
4-N-benzyl-6-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112871519
6-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858580
N-[(4-chlorophenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347267
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112860016
6-N-[2-(4-chlorophenyl)ethyl]-4-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4,6-diamine
CID 112862520

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(4-chlorophenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[2-(4-chlorophenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine (CID 112859177) is 6-N-[2-(4-chlorophenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[2-(4-chlorophenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[2-(4-chlorophenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine is Cc1ccc(CNc2cc(NCCc3ccc(Cl)cc3)ncn2)cc1.
What is the InChIKey of 6-N-[2-(4-chlorophenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is SYYXHDHWFPQFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4/c1-15-2-4-17(5-3-15)13-23-20-12-19(24-14-25-20)22-11-10-16-6-8-18(21)9-7-16/h2-9,12,14H,10-11,13H2,1H3,(H2,22,23,24,25).
What are the key properties of 6-N-[2-(4-chlorophenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine?
6-N-[2-(4-chlorophenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-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 6-N-[2-(4-chlorophenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112859177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).