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

C22H27N5 — CID 112880706

IUPAC4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-phenylpyrimidine-4,6-diamine
SMILESCN(C)CCNc1cc(N(C)Cc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H27N5/c1-26(2)15-14-23-20-16-21(27(3)17-18-10-6-4-7-11-18)25-22(24-20)19-12-8-5-9-13-19/h4-13,16H,14-15,17H2,1-3H3,(H,23,24,25)
InChIKeySOTBKNXZAHAREC-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.75
Rot. Bonds8

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

4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-phenylpyrimidine-4,6-diamine (PubChem CID 112880706) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-phenylpyrimidine-4,6-diamine
PubChem CID112880706
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-phenylpyrimidine-4,6-diamine
SMILESCN(C)CCNc1cc(N(C)Cc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H27N5/c1-26(2)15-14-23-20-16-21(27(3)17-18-10-6-4-7-11-18)25-22(24-20)19-12-8-5-9-13-19/h4-13,16H,14-15,17H2,1-3H3,(H,23,24,25)
InChIKeySOTBKNXZAHAREC-UHFFFAOYSA-N
XLogP3.75
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N,6-dimethyl-2-phenylpyrimidin-4-amine
CID 746584
6-N-[2-(dimethylamino)ethyl]-2-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112880717
4-N-benzyl-2-N-[2-(dimethylamino)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112912954
2-N-benzyl-4-N-[2-(dimethylamino)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112912774
4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80754280
6-N-butyl-4-N-methyl-2-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112879731
N',N'-dimethyl-N-[2-phenyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethane-1,2-diamine
CID 4667934
6-N-(2-methoxyethyl)-4-N-methyl-2-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112880263
4-N,4-N-diethyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879230
6-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853626
6-N-ethyl-4-N-methyl-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115915212
N-(2-chloro-6-phenylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82460895

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-phenylpyrimidine-4,6-diamine (CID 112880706) is 4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-phenylpyrimidine-4,6-diamine is CN(C)CCNc1cc(N(C)Cc2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-phenylpyrimidine-4,6-diamine?
The InChIKey is SOTBKNXZAHAREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-26(2)15-14-23-20-16-21(27(3)17-18-10-6-4-7-11-18)25-22(24-20)19-12-8-5-9-13-19/h4-13,16H,14-15,17H2,1-3H3,(H,23,24,25).
What are the key properties of 4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-phenylpyrimidine-4,6-diamine?
4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-phenylpyrimidine-4,6-diamine has a molecular weight of 361.49 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112880706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).