5-[6-[3,5-bis(methylamino)phenyl]-2-phenylpyrimidin-4-yl]-3-N-methylbenzene-1,3-diamine

C25H26N6 — CID 143240013

IUPAC5-[6-[3,5-bis(methylamino)phenyl]-2-phenylpyrimidin-4-yl]-3-N-methylbenzene-1,3-diamine
SMILESCNc1cc(N)cc(-c2cc(-c3cc(NC)cc(NC)c3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C25H26N6/c1-27-20-10-17(9-19(26)13-20)23-15-24(18-11-21(28-2)14-22(12-18)29-3)31-25(30-23)16-7-5-4-6-8-16/h4-15,27-29H,26H2,1-3H3
InChIKeyWZGPKYFIKFNETR-UHFFFAOYSA-N
MW410.53 g/mol
LogP5.18
Rot. Bonds6

About 5-[6-[3,5-bis(methylamino)phenyl]-2-phenylpyrimidin-4-yl]-3-N-methylbenzene-1,3-diamine

5-[6-[3,5-bis(methylamino)phenyl]-2-phenylpyrimidin-4-yl]-3-N-methylbenzene-1,3-diamine (PubChem CID 143240013) has the molecular formula C25H26N6 and a molecular weight of 410.53 g/mol. Its IUPAC name is 5-[6-[3,5-bis(methylamino)phenyl]-2-phenylpyrimidin-4-yl]-3-N-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-[6-[3,5-bis(methylamino)phenyl]-2-phenylpyrimidin-4-yl]-3-N-methylbenzene-1,3-diamine
PubChem CID143240013
Molecular FormulaC25H26N6
Molecular Weight410.53 g/mol
Exact Mass410.22
IUPAC Name5-[6-[3,5-bis(methylamino)phenyl]-2-phenylpyrimidin-4-yl]-3-N-methylbenzene-1,3-diamine
SMILESCNc1cc(N)cc(-c2cc(-c3cc(NC)cc(NC)c3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C25H26N6/c1-27-20-10-17(9-19(26)13-20)23-15-24(18-11-21(28-2)14-22(12-18)29-3)31-25(30-23)16-7-5-4-6-8-16/h4-15,27-29H,26H2,1-3H3
InChIKeyWZGPKYFIKFNETR-UHFFFAOYSA-N
XLogP5.18
TPSA87.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.53
LogP ≤ 55.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[4-[3-(methylamino)phenyl]-6-phenyl-1,3,5-triazin-2-yl]aniline
CID 143239836
3-[4,6-bis[3-(methylamino)phenyl]pyrimidin-2-yl]aniline
CID 143239907
N-methyl-4-[3-[6-[3-[4-(methylamino)phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]aniline
CID 143239958
4-[2-(4-aminophenyl)-6-phenylpyrimidin-4-yl]aniline
CID 630837
4-(4,6-diphenylpyrimidin-2-yl)aniline
CID 629613
N-methylazulen-2-amine
CID 175045574
N-methyl-2,6-diphenylpyrimidin-4-amine
CID 4713922
6-(3,5-dimethylphenyl)-2-phenylpyrimidin-4-amine
CID 115915041
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
4-[3-(2,6-diphenyl-4-pyridinyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(4-methylphenyl)-2-phenylpyrimidine
CID 135243270
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081
acetylene;3-[4-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-6-[3-(methylamino)phenyl]-2-pyridinyl]aniline
CID 143239809

Frequently Asked Questions

What is the IUPAC name of 5-[6-[3,5-bis(methylamino)phenyl]-2-phenylpyrimidin-4-yl]-3-N-methylbenzene-1,3-diamine?
The IUPAC name of 5-[6-[3,5-bis(methylamino)phenyl]-2-phenylpyrimidin-4-yl]-3-N-methylbenzene-1,3-diamine (CID 143240013) is 5-[6-[3,5-bis(methylamino)phenyl]-2-phenylpyrimidin-4-yl]-3-N-methylbenzene-1,3-diamine.
What is the SMILES notation for 5-[6-[3,5-bis(methylamino)phenyl]-2-phenylpyrimidin-4-yl]-3-N-methylbenzene-1,3-diamine?
The canonical SMILES for 5-[6-[3,5-bis(methylamino)phenyl]-2-phenylpyrimidin-4-yl]-3-N-methylbenzene-1,3-diamine is CNc1cc(N)cc(-c2cc(-c3cc(NC)cc(NC)c3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 5-[6-[3,5-bis(methylamino)phenyl]-2-phenylpyrimidin-4-yl]-3-N-methylbenzene-1,3-diamine?
The InChIKey is WZGPKYFIKFNETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6/c1-27-20-10-17(9-19(26)13-20)23-15-24(18-11-21(28-2)14-22(12-18)29-3)31-25(30-23)16-7-5-4-6-8-16/h4-15,27-29H,26H2,1-3H3.
What are the key properties of 5-[6-[3,5-bis(methylamino)phenyl]-2-phenylpyrimidin-4-yl]-3-N-methylbenzene-1,3-diamine?
5-[6-[3,5-bis(methylamino)phenyl]-2-phenylpyrimidin-4-yl]-3-N-methylbenzene-1,3-diamine has a molecular weight of 410.53 g/mol, XLogP of 5.18, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[3,5-bis(methylamino)phenyl]-2-phenylpyrimidin-4-yl]-3-N-methylbenzene-1,3-diamine is sourced from PubChem (CID 143240013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).