6-N-benzyl-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine

C19H21N5 — CID 19136168

IUPAC6-N-benzyl-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1cccc(Nc2ncnc(NCc3ccccc3)c2N)c1C
InChIInChI=1S/C19H21N5/c1-13-7-6-10-16(14(13)2)24-19-17(20)18(22-12-23-19)21-11-15-8-4-3-5-9-15/h3-10,12H,11,20H2,1-2H3,(H2,21,22,23,24)
InChIKeyMCTXKKMZDGCFTM-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.03
Rot. Bonds5

About 6-N-benzyl-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine

6-N-benzyl-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 19136168) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 6-N-benzyl-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-benzyl-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
PubChem CID19136168
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name6-N-benzyl-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1cccc(Nc2ncnc(NCc3ccccc3)c2N)c1C
InChIInChI=1S/C19H21N5/c1-13-7-6-10-16(14(13)2)24-19-17(20)18(22-12-23-19)21-11-15-8-4-3-5-9-15/h3-10,12H,11,20H2,1-2H3,(H2,21,22,23,24)
InChIKeyMCTXKKMZDGCFTM-UHFFFAOYSA-N
XLogP4.03
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,5,6-triamine
CID 19135206
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147805
4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19137100
4-N-(3-chloro-2-methylphenyl)-6-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine
CID 22545421
6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19143159
6-N-benzyl-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22542276
6-N-(2,3-dimethylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19143141
4-N-(3-chloro-2-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 22545331
4-N-benzyl-6-N-(2,3-dimethylphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19143230
6-N-benzyl-4-N-(3-chloro-4-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546566
6-N-[(4-fluorophenyl)methyl]-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine
CID 19153840
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine
CID 19150610

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-benzyl-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine (CID 19136168) is 6-N-benzyl-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-benzyl-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-benzyl-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine is Cc1cccc(Nc2ncnc(NCc3ccccc3)c2N)c1C.
What is the InChIKey of 6-N-benzyl-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is MCTXKKMZDGCFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-13-7-6-10-16(14(13)2)24-19-17(20)18(22-12-23-19)21-11-15-8-4-3-5-9-15/h3-10,12H,11,20H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 6-N-benzyl-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine?
6-N-benzyl-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 319.41 g/mol, XLogP of 4.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19136168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).