2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine

C20H22ClN5 — CID 112935858

IUPAC2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine
SMILESCN(C)CCNc1cc(-c2ccccc2)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H22ClN5/c1-26(2)13-12-22-19-14-18(15-6-4-3-5-7-15)24-20(25-19)23-17-10-8-16(21)9-11-17/h3-11,14H,12-13H2,1-2H3,(H2,22,23,24,25)
InChIKeyJHQNNCGFVAREME-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.51
Rot. Bonds7

About 2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine

2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine (PubChem CID 112935858) has the molecular formula C20H22ClN5 and a molecular weight of 367.88 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine
PubChem CID112935858
Molecular FormulaC20H22ClN5
Molecular Weight367.88 g/mol
Exact Mass367.16
IUPAC Name2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine
SMILESCN(C)CCNc1cc(-c2ccccc2)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H22ClN5/c1-26(2)13-12-22-19-14-18(15-6-4-3-5-7-15)24-20(25-19)23-17-10-8-16(21)9-11-17/h3-11,14H,12-13H2,1-2H3,(H2,22,23,24,25)
InChIKeyJHQNNCGFVAREME-UHFFFAOYSA-N
XLogP4.51
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(dimethylamino)ethyl]-2-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935835
4-N-[2-(dimethylamino)ethyl]-2-N-(3,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935842
2-N-(4-chloro-2-methylphenyl)-4-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935861
4-N-[3-(dimethylamino)propyl]-2-N-(4-fluorophenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936129
2-N-(3-chloro-4-methylphenyl)-4-N-[3-(dimethylamino)propyl]-6-phenylpyrimidine-2,4-diamine
CID 112936136
4-N-(4-tert-butylphenyl)-2-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935970
N-(2-chloro-6-phenylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82460895
2-N-(4-chlorophenyl)-4-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112936767
3-N-(4-chlorophenyl)-5-N-[2-(dimethylamino)ethyl]-1,2,4-triazine-3,5-diamine
CID 112944811
4-N-[3-(dimethylamino)propyl]-2-N-(3-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936139
4-N-[2-(dimethylamino)ethyl]-2-N-(2-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935869
2-N-[2-(dimethylamino)ethyl]-4-N-(3,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935959

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine (CID 112935858) is 2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine is CN(C)CCNc1cc(-c2ccccc2)nc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine?
The InChIKey is JHQNNCGFVAREME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5/c1-26(2)13-12-22-19-14-18(15-6-4-3-5-7-15)24-20(25-19)23-17-10-8-16(21)9-11-17/h3-11,14H,12-13H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine?
2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine has a molecular weight of 367.88 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112935858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).