4-(3,4-dihydro-2H-quinolin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine

C22H24N4O — CID 19138753

IUPAC4-(3,4-dihydro-2H-quinolin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine
SMILESCC(C)c1ccc(Oc2ncnc(N3CCCc4ccccc43)c2N)cc1
InChIInChI=1S/C22H24N4O/c1-15(2)16-9-11-18(12-10-16)27-22-20(23)21(24-14-25-22)26-13-5-7-17-6-3-4-8-19(17)26/h3-4,6,8-12,14-15H,5,7,13,23H2,1-2H3
InChIKeyDTTQBTDGKNOJFR-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.06
Rot. Bonds4

About 4-(3,4-dihydro-2H-quinolin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine

4-(3,4-dihydro-2H-quinolin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine (PubChem CID 19138753) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine
PubChem CID19138753
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine
SMILESCC(C)c1ccc(Oc2ncnc(N3CCCc4ccccc43)c2N)cc1
InChIInChI=1S/C22H24N4O/c1-15(2)16-9-11-18(12-10-16)27-22-20(23)21(24-14-25-22)26-13-5-7-17-6-3-4-8-19(17)26/h3-4,6,8-12,14-15H,5,7,13,23H2,1-2H3
InChIKeyDTTQBTDGKNOJFR-UHFFFAOYSA-N
XLogP5.06
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine (CID 19138753) is 4-(3,4-dihydro-2H-quinolin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine is CC(C)c1ccc(Oc2ncnc(N3CCCc4ccccc43)c2N)cc1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine?
The InChIKey is DTTQBTDGKNOJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15(2)16-9-11-18(12-10-16)27-22-20(23)21(24-14-25-22)26-13-5-7-17-6-3-4-8-19(17)26/h3-4,6,8-12,14-15H,5,7,13,23H2,1-2H3.
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine?
4-(3,4-dihydro-2H-quinolin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine has a molecular weight of 360.46 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine is sourced from PubChem (CID 19138753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).