4-N-[2-(dimethylamino)ethyl]-2-N-[(3-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine

C22H27N5 — CID 112935791

IUPAC4-N-[2-(dimethylamino)ethyl]-2-N-[(3-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
SMILESCc1cccc(CNc2nc(NCCN(C)C)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H27N5/c1-17-8-7-9-18(14-17)16-24-22-25-20(19-10-5-4-6-11-19)15-21(26-22)23-12-13-27(2)3/h4-11,14-15H,12-13,16H2,1-3H3,(H2,23,24,25,26)
InChIKeyKQWZYWOYXRIOGC-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.04
Rot. Bonds8

About 4-N-[2-(dimethylamino)ethyl]-2-N-[(3-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine

4-N-[2-(dimethylamino)ethyl]-2-N-[(3-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine (PubChem CID 112935791) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-2-N-[(3-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-2-N-[(3-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
PubChem CID112935791
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name4-N-[2-(dimethylamino)ethyl]-2-N-[(3-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
SMILESCc1cccc(CNc2nc(NCCN(C)C)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H27N5/c1-17-8-7-9-18(14-17)16-24-22-25-20(19-10-5-4-6-11-19)15-21(26-22)23-12-13-27(2)3/h4-11,14-15H,12-13,16H2,1-3H3,(H2,23,24,25,26)
InChIKeyKQWZYWOYXRIOGC-UHFFFAOYSA-N
XLogP4.04
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112912951
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
4-N-[2-(dimethylamino)ethyl]-2-N-[2-(3-methoxyphenyl)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935811
2-N-[2-(dimethylamino)ethyl]-4-N-(3,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935959
6-N-[2-(dimethylamino)ethyl]-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112857378
2-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935950
N-(2-chloro-6-phenylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82460895
2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935858
4-N-(4-tert-butylphenyl)-2-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935970
4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936116
2-N-(4-chloro-2-methylphenyl)-4-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935861

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-2-N-[(3-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-2-N-[(3-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine (CID 112935791) is 4-N-[2-(dimethylamino)ethyl]-2-N-[(3-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-2-N-[(3-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-2-N-[(3-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine is Cc1cccc(CNc2nc(NCCN(C)C)cc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-2-N-[(3-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine?
The InChIKey is KQWZYWOYXRIOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-17-8-7-9-18(14-17)16-24-22-25-20(19-10-5-4-6-11-19)15-21(26-22)23-12-13-27(2)3/h4-11,14-15H,12-13,16H2,1-3H3,(H2,23,24,25,26).
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-2-N-[(3-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine?
4-N-[2-(dimethylamino)ethyl]-2-N-[(3-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine has a molecular weight of 361.49 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)ethyl]-2-N-[(3-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112935791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).