2-N,6-dimethyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

C21H25N5 — CID 112915803

IUPAC2-N,6-dimethyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccccc2C)nc(N(C)CCc2ccncc2)n1
InChIInChI=1S/C21H25N5/c1-16-6-4-5-7-19(16)15-23-20-14-17(2)24-21(25-20)26(3)13-10-18-8-11-22-12-9-18/h4-9,11-12,14H,10,13,15H2,1-3H3,(H,23,24,25)
InChIKeyBOIGLPWKJFLSOO-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.78
Rot. Bonds7

About 2-N,6-dimethyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

2-N,6-dimethyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 112915803) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 2-N,6-dimethyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-dimethyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID112915803
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name2-N,6-dimethyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccccc2C)nc(N(C)CCc2ccncc2)n1
InChIInChI=1S/C21H25N5/c1-16-6-4-5-7-19(16)15-23-20-14-17(2)24-21(25-20)26(3)13-10-18-8-11-22-12-9-18/h4-9,11-12,14H,10,13,15H2,1-3H3,(H,23,24,25)
InChIKeyBOIGLPWKJFLSOO-UHFFFAOYSA-N
XLogP3.78
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N,6-dimethyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919102
4-N-tert-butyl-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112921587
4-N-(2,6-diethylphenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112921618
2-N,4-N,6-trimethyl-2-N,4-N-bis(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112921458
4-N-benzyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112889417
4-N-(4-bromophenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112921635
2-N-[(2-fluorophenyl)methyl]-4-N,6-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112917348
N-(2,6-dimethylphenyl)-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109331193
2-N-butyl-2-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889740
2-N-benzyl-6-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915625
3-N-methyl-5-N-(2-methylphenyl)-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112954720
4-[2-(2-methylphenyl)ethyl]pyridine
CID 54132329

Frequently Asked Questions

What is the IUPAC name of 2-N,6-dimethyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,6-dimethyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (CID 112915803) is 2-N,6-dimethyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,6-dimethyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,6-dimethyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is Cc1cc(NCc2ccccc2C)nc(N(C)CCc2ccncc2)n1.
What is the InChIKey of 2-N,6-dimethyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is BOIGLPWKJFLSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-16-6-4-5-7-19(16)15-23-20-14-17(2)24-21(25-20)26(3)13-10-18-8-11-22-12-9-18/h4-9,11-12,14H,10,13,15H2,1-3H3,(H,23,24,25).
What are the key properties of 2-N,6-dimethyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
2-N,6-dimethyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 347.47 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-dimethyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112915803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).