N-ethyl-4-(2-methylquinolin-6-yl)pyrimidin-2-amine

C16H16N4 — CID 81221340

IUPACN-ethyl-4-(2-methylquinolin-6-yl)pyrimidin-2-amine
SMILESCCNc1nccc(-c2ccc3nc(C)ccc3c2)n1
InChIInChI=1S/C16H16N4/c1-3-17-16-18-9-8-15(20-16)13-6-7-14-12(10-13)5-4-11(2)19-14/h4-10H,3H2,1-2H3,(H,17,18,20)
InChIKeyQIBRLIHNTSUHOF-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.43
Rot. Bonds3

About N-ethyl-4-(2-methylquinolin-6-yl)pyrimidin-2-amine

N-ethyl-4-(2-methylquinolin-6-yl)pyrimidin-2-amine (PubChem CID 81221340) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-ethyl-4-(2-methylquinolin-6-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methylquinolin-6-yl)pyrimidin-2-amine
PubChem CID81221340
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-ethyl-4-(2-methylquinolin-6-yl)pyrimidin-2-amine
SMILESCCNc1nccc(-c2ccc3nc(C)ccc3c2)n1
InChIInChI=1S/C16H16N4/c1-3-17-16-18-9-8-15(20-16)13-6-7-14-12(10-13)5-4-11(2)19-14/h4-10H,3H2,1-2H3,(H,17,18,20)
InChIKeyQIBRLIHNTSUHOF-UHFFFAOYSA-N
XLogP3.43
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methylquinolin-6-yl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(2-methylquinolin-6-yl)pyrimidin-2-amine (CID 81221340) is N-ethyl-4-(2-methylquinolin-6-yl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(2-methylquinolin-6-yl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(2-methylquinolin-6-yl)pyrimidin-2-amine is CCNc1nccc(-c2ccc3nc(C)ccc3c2)n1.
What is the InChIKey of N-ethyl-4-(2-methylquinolin-6-yl)pyrimidin-2-amine?
The InChIKey is QIBRLIHNTSUHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-3-17-16-18-9-8-15(20-16)13-6-7-14-12(10-13)5-4-11(2)19-14/h4-10H,3H2,1-2H3,(H,17,18,20).
What are the key properties of N-ethyl-4-(2-methylquinolin-6-yl)pyrimidin-2-amine?
N-ethyl-4-(2-methylquinolin-6-yl)pyrimidin-2-amine has a molecular weight of 264.33 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methylquinolin-6-yl)pyrimidin-2-amine is sourced from PubChem (CID 81221340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).