N-ethyl-5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-amine

C15H19N3 — CID 62192547

IUPACN-ethyl-5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(C)cc2)nc(C)c1C
InChIInChI=1S/C15H19N3/c1-5-16-14-11(3)12(4)17-15(18-14)13-8-6-10(2)7-9-13/h6-9H,5H2,1-4H3,(H,16,17,18)
InChIKeyUAVFIYUSTWSRIU-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.50
Rot. Bonds3

About N-ethyl-5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-amine

N-ethyl-5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-amine (PubChem CID 62192547) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-ethyl-5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-amine
PubChem CID62192547
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-ethyl-5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(C)cc2)nc(C)c1C
InChIInChI=1S/C15H19N3/c1-5-16-14-11(3)12(4)17-15(18-14)13-8-6-10(2)7-9-13/h6-9H,5H2,1-4H3,(H,16,17,18)
InChIKeyUAVFIYUSTWSRIU-UHFFFAOYSA-N
XLogP3.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-amine (CID 62192547) is N-ethyl-5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-amine is CCNc1nc(-c2ccc(C)cc2)nc(C)c1C.
What is the InChIKey of N-ethyl-5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-amine?
The InChIKey is UAVFIYUSTWSRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-5-16-14-11(3)12(4)17-15(18-14)13-8-6-10(2)7-9-13/h6-9H,5H2,1-4H3,(H,16,17,18).
What are the key properties of N-ethyl-5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-amine?
N-ethyl-5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-amine has a molecular weight of 241.34 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 62192547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).