6-N-[4-(diethylamino)phenyl]-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine

C22H27N5 — CID 112877193

IUPAC6-N-[4-(diethylamino)phenyl]-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine
SMILESCCN(CC)c1ccc(Nc2cc(N(C)c3ccccc3)nc(C)n2)cc1
InChIInChI=1S/C22H27N5/c1-5-27(6-2)20-14-12-18(13-15-20)25-21-16-22(24-17(3)23-21)26(4)19-10-8-7-9-11-19/h7-16H,5-6H2,1-4H3,(H,23,24,25)
InChIKeyLVBYZCVIHXAWKS-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.14
Rot. Bonds7

About 6-N-[4-(diethylamino)phenyl]-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine

6-N-[4-(diethylamino)phenyl]-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine (PubChem CID 112877193) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 6-N-[4-(diethylamino)phenyl]-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[4-(diethylamino)phenyl]-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine
PubChem CID112877193
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name6-N-[4-(diethylamino)phenyl]-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine
SMILESCCN(CC)c1ccc(Nc2cc(N(C)c3ccccc3)nc(C)n2)cc1
InChIInChI=1S/C22H27N5/c1-5-27(6-2)20-14-12-18(13-15-20)25-21-16-22(24-17(3)23-21)26(4)19-10-8-7-9-11-19/h7-16H,5-6H2,1-4H3,(H,23,24,25)
InChIKeyLVBYZCVIHXAWKS-UHFFFAOYSA-N
XLogP5.14
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[[2-methyl-6-(N-methylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112877216
6-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112865025
1-N-(2,6-dimethylpyrimidin-4-yl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 22695662
6-N-(3,4-dimethoxyphenyl)-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112877180
4-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4,6-diamine
CID 80828137
1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea
CID 122296681
6-anilino-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112847912
4-[[6-[benzyl(ethyl)amino]-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112873203
4-N-ethyl-2-methyl-6-N-(3-methylphenyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112877026
6-N-[4-(dimethylamino)phenyl]-4-N,4-N-diethyl-2-phenylpyrimidine-4,6-diamine
CID 112881588
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide
CID 122296624
4-N,2-dimethyl-4-N-phenyl-6-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112877176

Frequently Asked Questions

What is the IUPAC name of 6-N-[4-(diethylamino)phenyl]-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[4-(diethylamino)phenyl]-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine (CID 112877193) is 6-N-[4-(diethylamino)phenyl]-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[4-(diethylamino)phenyl]-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[4-(diethylamino)phenyl]-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine is CCN(CC)c1ccc(Nc2cc(N(C)c3ccccc3)nc(C)n2)cc1.
What is the InChIKey of 6-N-[4-(diethylamino)phenyl]-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine?
The InChIKey is LVBYZCVIHXAWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-5-27(6-2)20-14-12-18(13-15-20)25-21-16-22(24-17(3)23-21)26(4)19-10-8-7-9-11-19/h7-16H,5-6H2,1-4H3,(H,23,24,25).
What are the key properties of 6-N-[4-(diethylamino)phenyl]-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine?
6-N-[4-(diethylamino)phenyl]-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine has a molecular weight of 361.49 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[4-(diethylamino)phenyl]-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112877193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).