2-ethyl-6-N,5-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine

C15H21N5 — CID 80987116

IUPAC2-ethyl-6-N,5-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(NCCc2ccncc2)n1
InChIInChI=1S/C15H21N5/c1-4-13-19-14(16-3)11(2)15(20-13)18-10-7-12-5-8-17-9-6-12/h5-6,8-9H,4,7,10H2,1-3H3,(H2,16,18,19,20)
InChIKeyYPIVGBZKOUHORU-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.44
Rot. Bonds6

About 2-ethyl-6-N,5-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine

2-ethyl-6-N,5-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80987116) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-ethyl-6-N,5-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-6-N,5-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
PubChem CID80987116
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-ethyl-6-N,5-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(NCCc2ccncc2)n1
InChIInChI=1S/C15H21N5/c1-4-13-19-14(16-3)11(2)15(20-13)18-10-7-12-5-8-17-9-6-12/h5-6,8-9H,4,7,10H2,1-3H3,(H2,16,18,19,20)
InChIKeyYPIVGBZKOUHORU-UHFFFAOYSA-N
XLogP2.44
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-N,5-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-6-N,5-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine (CID 80987116) is 2-ethyl-6-N,5-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-6-N,5-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-6-N,5-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine is CCc1nc(NC)c(C)c(NCCc2ccncc2)n1.
What is the InChIKey of 2-ethyl-6-N,5-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is YPIVGBZKOUHORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-4-13-19-14(16-3)11(2)15(20-13)18-10-7-12-5-8-17-9-6-12/h5-6,8-9H,4,7,10H2,1-3H3,(H2,16,18,19,20).
What are the key properties of 2-ethyl-6-N,5-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine?
2-ethyl-6-N,5-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-N,5-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80987116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).