4-N-(2,6-diethylphenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

C23H29N5 — CID 112921618

IUPAC4-N-(2,6-diethylphenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCCc1cccc(CC)c1Nc1cc(C)nc(N(C)CCc2ccncc2)n1
InChIInChI=1S/C23H29N5/c1-5-19-8-7-9-20(6-2)22(19)26-21-16-17(3)25-23(27-21)28(4)15-12-18-10-13-24-14-11-18/h7-11,13-14,16H,5-6,12,15H2,1-4H3,(H,25,26,27)
InChIKeyFIORXPVJGUEHKY-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.73
Rot. Bonds8

About 4-N-(2,6-diethylphenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

4-N-(2,6-diethylphenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 112921618) has the molecular formula C23H29N5 and a molecular weight of 375.52 g/mol. Its IUPAC name is 4-N-(2,6-diethylphenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,6-diethylphenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID112921618
Molecular FormulaC23H29N5
Molecular Weight375.52 g/mol
Exact Mass375.24
IUPAC Name4-N-(2,6-diethylphenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCCc1cccc(CC)c1Nc1cc(C)nc(N(C)CCc2ccncc2)n1
InChIInChI=1S/C23H29N5/c1-5-19-8-7-9-20(6-2)22(19)26-21-16-17(3)25-23(27-21)28(4)15-12-18-10-13-24-14-11-18/h7-11,13-14,16H,5-6,12,15H2,1-4H3,(H,25,26,27)
InChIKeyFIORXPVJGUEHKY-UHFFFAOYSA-N
XLogP4.73
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,6-dimethyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112915803
6-N-(2,6-diethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861838
4-N-(4-bromophenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112921635
4-N-tert-butyl-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112921587
2-N,4-N,6-trimethyl-2-N,4-N-bis(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112921458
N-(2,6-dimethylphenyl)-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109331193
2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919102
4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919939
N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]-N-phenylpyrimidine-4-carboxamide
CID 109331197
N-benzyl-N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109329548
N-cyclohexyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109322814
2-N-(2-ethyl-6-methylphenyl)-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919784

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-diethylphenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,6-diethylphenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (CID 112921618) is 4-N-(2,6-diethylphenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,6-diethylphenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,6-diethylphenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is CCc1cccc(CC)c1Nc1cc(C)nc(N(C)CCc2ccncc2)n1.
What is the InChIKey of 4-N-(2,6-diethylphenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is FIORXPVJGUEHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5/c1-5-19-8-7-9-20(6-2)22(19)26-21-16-17(3)25-23(27-21)28(4)15-12-18-10-13-24-14-11-18/h7-11,13-14,16H,5-6,12,15H2,1-4H3,(H,25,26,27).
What are the key properties of 4-N-(2,6-diethylphenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
4-N-(2,6-diethylphenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 375.52 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-diethylphenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112921618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).