4-N-methyl-6-N-propyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4,6-triamine

C15H22N6 — CID 80773723

IUPAC4-N-methyl-6-N-propyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4,6-triamine
SMILESCCCNc1cc(N(C)CCc2ccncc2)nc(N)n1
InChIInChI=1S/C15H22N6/c1-3-7-18-13-11-14(20-15(16)19-13)21(2)10-6-12-4-8-17-9-5-12/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H3,16,18,19,20)
InChIKeyYYZQFHBXDWDBBZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.95
Rot. Bonds7

About 4-N-methyl-6-N-propyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4,6-triamine

4-N-methyl-6-N-propyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4,6-triamine (PubChem CID 80773723) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-N-methyl-6-N-propyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-methyl-6-N-propyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4,6-triamine
PubChem CID80773723
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name4-N-methyl-6-N-propyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4,6-triamine
SMILESCCCNc1cc(N(C)CCc2ccncc2)nc(N)n1
InChIInChI=1S/C15H22N6/c1-3-7-18-13-11-14(20-15(16)19-13)21(2)10-6-12-4-8-17-9-5-12/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H3,16,18,19,20)
InChIKeyYYZQFHBXDWDBBZ-UHFFFAOYSA-N
XLogP1.95
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-methyl-6-N-propyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

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
4-N,2-dimethyl-6-N-(3-methylbutyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112874371
4-N,6-N-dimethyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
CID 80847357
4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80778356
4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80790430
4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80799386
6-N-(2-methoxyethyl)-4-N-methyl-2-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112880263
4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80776337
4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80815573
4-N-ethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80776357
4-N-methyl-6-N-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80787031

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-N-propyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-methyl-6-N-propyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4,6-triamine (CID 80773723) is 4-N-methyl-6-N-propyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-methyl-6-N-propyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-methyl-6-N-propyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4,6-triamine is CCCNc1cc(N(C)CCc2ccncc2)nc(N)n1.
What is the InChIKey of 4-N-methyl-6-N-propyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4,6-triamine?
The InChIKey is YYZQFHBXDWDBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-3-7-18-13-11-14(20-15(16)19-13)21(2)10-6-12-4-8-17-9-5-12/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H3,16,18,19,20).
What are the key properties of 4-N-methyl-6-N-propyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4,6-triamine?
4-N-methyl-6-N-propyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4,6-triamine has a molecular weight of 286.38 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-N-propyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80773723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).