2-N-methyl-2-N,6-diphenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

C23H21N5 — CID 112937366

IUPAC2-N-methyl-2-N,6-diphenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(c1ccccc1)c1nc(NCc2ccncc2)cc(-c2ccccc2)n1
InChIInChI=1S/C23H21N5/c1-28(20-10-6-3-7-11-20)23-26-21(19-8-4-2-5-9-19)16-22(27-23)25-17-18-12-14-24-15-13-18/h2-16H,17H2,1H3,(H,25,26,27)
InChIKeyOSQBEYBPISKOIB-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.92
Rot. Bonds6

About 2-N-methyl-2-N,6-diphenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

2-N-methyl-2-N,6-diphenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112937366) has the molecular formula C23H21N5 and a molecular weight of 367.46 g/mol. Its IUPAC name is 2-N-methyl-2-N,6-diphenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N,6-diphenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112937366
Molecular FormulaC23H21N5
Molecular Weight367.46 g/mol
Exact Mass367.18
IUPAC Name2-N-methyl-2-N,6-diphenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(c1ccccc1)c1nc(NCc2ccncc2)cc(-c2ccccc2)n1
InChIInChI=1S/C23H21N5/c1-28(20-10-6-3-7-11-20)23-26-21(19-8-4-2-5-9-19)16-22(27-23)25-17-18-12-14-24-15-13-18/h2-16H,17H2,1H3,(H,25,26,27)
InChIKeyOSQBEYBPISKOIB-UHFFFAOYSA-N
XLogP4.92
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[2-(dimethylamino)ethyl]-2-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112880717
4-N-methyl-4-N-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112860925
4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine
CID 55045579
N-benzyl-2-methyl-6-phenylpyrimidin-4-amine
CID 16957885
6-N-[(4-methoxyphenyl)methyl]-2-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112881287
4-N-methyl-4-N-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893868
4-[[4-phenyl-6-(pyridin-4-ylmethylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112937400
4-N,4-N-diethyl-2-N-methyl-2-N,6-diphenylpyrimidine-2,4-diamine
CID 112937657
5-N-[(4-fluorophenyl)methyl]-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112949922
3-[[2-(N-methylanilino)-6-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112938145
4-N-[3-(dimethylamino)propyl]-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine
CID 112913498
2-N,6-dimethyl-4-N-pentyl-2-N-phenylpyrimidine-2,4-diamine
CID 112925381

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N,6-diphenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-2-N,6-diphenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (CID 112937366) is 2-N-methyl-2-N,6-diphenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-2-N,6-diphenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-2-N,6-diphenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is CN(c1ccccc1)c1nc(NCc2ccncc2)cc(-c2ccccc2)n1.
What is the InChIKey of 2-N-methyl-2-N,6-diphenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is OSQBEYBPISKOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5/c1-28(20-10-6-3-7-11-20)23-26-21(19-8-4-2-5-9-19)16-22(27-23)25-17-18-12-14-24-15-13-18/h2-16H,17H2,1H3,(H,25,26,27).
What are the key properties of 2-N-methyl-2-N,6-diphenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
2-N-methyl-2-N,6-diphenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 367.46 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N,6-diphenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112937366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).