5-methyl-2-propyl-6-quinolin-8-ylpyrimidin-4-amine

C17H18N4 — CID 81227897

IUPAC5-methyl-2-propyl-6-quinolin-8-ylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(-c2cccc3cccnc23)n1
InChIInChI=1S/C17H18N4/c1-3-6-14-20-15(11(2)17(18)21-14)13-9-4-7-12-8-5-10-19-16(12)13/h4-5,7-10H,3,6H2,1-2H3,(H2,18,20,21)
InChIKeyOSQIALCHGBGXFR-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.53
Rot. Bonds3

About 5-methyl-2-propyl-6-quinolin-8-ylpyrimidin-4-amine

5-methyl-2-propyl-6-quinolin-8-ylpyrimidin-4-amine (PubChem CID 81227897) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-methyl-2-propyl-6-quinolin-8-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-propyl-6-quinolin-8-ylpyrimidin-4-amine
PubChem CID81227897
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name5-methyl-2-propyl-6-quinolin-8-ylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(-c2cccc3cccnc23)n1
InChIInChI=1S/C17H18N4/c1-3-6-14-20-15(11(2)17(18)21-14)13-9-4-7-12-8-5-10-19-16(12)13/h4-5,7-10H,3,6H2,1-2H3,(H2,18,20,21)
InChIKeyOSQIALCHGBGXFR-UHFFFAOYSA-N
XLogP3.53
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propyl-6-quinolin-8-ylpyrimidin-4-amine?
The IUPAC name of 5-methyl-2-propyl-6-quinolin-8-ylpyrimidin-4-amine (CID 81227897) is 5-methyl-2-propyl-6-quinolin-8-ylpyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-propyl-6-quinolin-8-ylpyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-propyl-6-quinolin-8-ylpyrimidin-4-amine is CCCc1nc(N)c(C)c(-c2cccc3cccnc23)n1.
What is the InChIKey of 5-methyl-2-propyl-6-quinolin-8-ylpyrimidin-4-amine?
The InChIKey is OSQIALCHGBGXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-3-6-14-20-15(11(2)17(18)21-14)13-9-4-7-12-8-5-10-19-16(12)13/h4-5,7-10H,3,6H2,1-2H3,(H2,18,20,21).
What are the key properties of 5-methyl-2-propyl-6-quinolin-8-ylpyrimidin-4-amine?
5-methyl-2-propyl-6-quinolin-8-ylpyrimidin-4-amine has a molecular weight of 278.36 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propyl-6-quinolin-8-ylpyrimidin-4-amine is sourced from PubChem (CID 81227897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).