N-methyl-6-propyl-2-quinolin-4-ylpyrimidin-4-amine

C17H18N4 — CID 63867494

IUPACN-methyl-6-propyl-2-quinolin-4-ylpyrimidin-4-amine
SMILESCCCc1cc(NC)nc(-c2ccnc3ccccc23)n1
InChIInChI=1S/C17H18N4/c1-3-6-12-11-16(18-2)21-17(20-12)14-9-10-19-15-8-5-4-7-13(14)15/h4-5,7-11H,3,6H2,1-2H3,(H,18,20,21)
InChIKeyMYNUYPKXWPAJOO-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.69
Rot. Bonds4

About N-methyl-6-propyl-2-quinolin-4-ylpyrimidin-4-amine

N-methyl-6-propyl-2-quinolin-4-ylpyrimidin-4-amine (PubChem CID 63867494) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-methyl-6-propyl-2-quinolin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-propyl-2-quinolin-4-ylpyrimidin-4-amine
PubChem CID63867494
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-methyl-6-propyl-2-quinolin-4-ylpyrimidin-4-amine
SMILESCCCc1cc(NC)nc(-c2ccnc3ccccc23)n1
InChIInChI=1S/C17H18N4/c1-3-6-12-11-16(18-2)21-17(20-12)14-9-10-19-15-8-5-4-7-13(14)15/h4-5,7-11H,3,6H2,1-2H3,(H,18,20,21)
InChIKeyMYNUYPKXWPAJOO-UHFFFAOYSA-N
XLogP3.69
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-propyl-2-quinolin-4-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-propyl-2-quinolin-4-ylpyrimidin-4-amine (CID 63867494) is N-methyl-6-propyl-2-quinolin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-propyl-2-quinolin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-propyl-2-quinolin-4-ylpyrimidin-4-amine is CCCc1cc(NC)nc(-c2ccnc3ccccc23)n1.
What is the InChIKey of N-methyl-6-propyl-2-quinolin-4-ylpyrimidin-4-amine?
The InChIKey is MYNUYPKXWPAJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-3-6-12-11-16(18-2)21-17(20-12)14-9-10-19-15-8-5-4-7-13(14)15/h4-5,7-11H,3,6H2,1-2H3,(H,18,20,21).
What are the key properties of N-methyl-6-propyl-2-quinolin-4-ylpyrimidin-4-amine?
N-methyl-6-propyl-2-quinolin-4-ylpyrimidin-4-amine has a molecular weight of 278.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-propyl-2-quinolin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 63867494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).