2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-6-propan-2-ylpyrimidin-4-amine

C17H22N4 — CID 62201943

IUPAC2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(N)nc(-c2ccc3c(c2)CCCN3C)n1
InChIInChI=1S/C17H22N4/c1-11(2)14-10-16(18)20-17(19-14)13-6-7-15-12(9-13)5-4-8-21(15)3/h6-7,9-11H,4-5,8H2,1-3H3,(H2,18,19,20)
InChIKeyAFOJORICJMVIPT-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.23
Rot. Bonds2

About 2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-6-propan-2-ylpyrimidin-4-amine

2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 62201943) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID62201943
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(N)nc(-c2ccc3c(c2)CCCN3C)n1
InChIInChI=1S/C17H22N4/c1-11(2)14-10-16(18)20-17(19-14)13-6-7-15-12(9-13)5-4-8-21(15)3/h6-7,9-11H,4-5,8H2,1-3H3,(H2,18,19,20)
InChIKeyAFOJORICJMVIPT-UHFFFAOYSA-N
XLogP3.23
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-6-propan-2-ylpyrimidin-4-amine (CID 62201943) is 2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-6-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(N)nc(-c2ccc3c(c2)CCCN3C)n1.
What is the InChIKey of 2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is AFOJORICJMVIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-11(2)14-10-16(18)20-17(19-14)13-6-7-15-12(9-13)5-4-8-21(15)3/h6-7,9-11H,4-5,8H2,1-3H3,(H2,18,19,20).
What are the key properties of 2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-6-propan-2-ylpyrimidin-4-amine?
2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 282.39 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 62201943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).