2-N,4-N,6-trimethyl-2-N,4-N-bis(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

C21H26N6 — CID 112921458

IUPAC2-N,4-N,6-trimethyl-2-N,4-N-bis(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(N(C)CCc2ccncc2)nc(N(C)CCc2ccncc2)n1
InChIInChI=1S/C21H26N6/c1-17-16-20(26(2)14-8-18-4-10-22-11-5-18)25-21(24-17)27(3)15-9-19-6-12-23-13-7-19/h4-7,10-13,16H,8-9,14-15H2,1-3H3
InChIKeyOXPQAFCHJBFVQY-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.93
Rot. Bonds8

About 2-N,4-N,6-trimethyl-2-N,4-N-bis(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

2-N,4-N,6-trimethyl-2-N,4-N-bis(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 112921458) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-N,4-N,6-trimethyl-2-N,4-N-bis(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,6-trimethyl-2-N,4-N-bis(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID112921458
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC Name2-N,4-N,6-trimethyl-2-N,4-N-bis(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(N(C)CCc2ccncc2)nc(N(C)CCc2ccncc2)n1
InChIInChI=1S/C21H26N6/c1-17-16-20(26(2)14-8-18-4-10-22-11-5-18)25-21(24-17)27(3)15-9-19-6-12-23-13-7-19/h4-7,10-13,16H,8-9,14-15H2,1-3H3
InChIKeyOXPQAFCHJBFVQY-UHFFFAOYSA-N
XLogP2.93
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-N,4-N,6-trimethyl-2-N,4-N-bis(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

N,6-dimethyl-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909455
4-N-tert-butyl-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112921587
2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carbonitrile
CID 114765911
4-N-(4-bromophenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112921635
2-N-[(4-fluorophenyl)methyl]-4-N,6-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112917625
4-N-(2,6-diethylphenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112921618
2-N,6-dimethyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112915803
2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919102
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
N-cyclohexyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109322814
N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]-N-phenylpyrimidine-4-carboxamide
CID 109331197

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-trimethyl-2-N,4-N-bis(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N,6-trimethyl-2-N,4-N-bis(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (CID 112921458) is 2-N,4-N,6-trimethyl-2-N,4-N-bis(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,6-trimethyl-2-N,4-N-bis(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N,6-trimethyl-2-N,4-N-bis(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is Cc1cc(N(C)CCc2ccncc2)nc(N(C)CCc2ccncc2)n1.
What is the InChIKey of 2-N,4-N,6-trimethyl-2-N,4-N-bis(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is OXPQAFCHJBFVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6/c1-17-16-20(26(2)14-8-18-4-10-22-11-5-18)25-21(24-17)27(3)15-9-19-6-12-23-13-7-19/h4-7,10-13,16H,8-9,14-15H2,1-3H3.
What are the key properties of 2-N,4-N,6-trimethyl-2-N,4-N-bis(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
2-N,4-N,6-trimethyl-2-N,4-N-bis(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 362.48 g/mol, XLogP of 2.93, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-trimethyl-2-N,4-N-bis(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112921458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).