6-tert-butyl-2-quinolin-8-ylpyrimidin-4-amine

C17H18N4 — CID 63970151

IUPAC6-tert-butyl-2-quinolin-8-ylpyrimidin-4-amine
SMILESCC(C)(C)c1cc(N)nc(-c2cccc3cccnc23)n1
InChIInChI=1S/C17H18N4/c1-17(2,3)13-10-14(18)21-16(20-13)12-8-4-6-11-7-5-9-19-15(11)12/h4-10H,1-3H3,(H2,18,20,21)
InChIKeySUMKFMUSRQLNTL-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.57
Rot. Bonds1

About 6-tert-butyl-2-quinolin-8-ylpyrimidin-4-amine

6-tert-butyl-2-quinolin-8-ylpyrimidin-4-amine (PubChem CID 63970151) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-tert-butyl-2-quinolin-8-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-quinolin-8-ylpyrimidin-4-amine
PubChem CID63970151
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name6-tert-butyl-2-quinolin-8-ylpyrimidin-4-amine
SMILESCC(C)(C)c1cc(N)nc(-c2cccc3cccnc23)n1
InChIInChI=1S/C17H18N4/c1-17(2,3)13-10-14(18)21-16(20-13)12-8-4-6-11-7-5-9-19-15(11)12/h4-10H,1-3H3,(H2,18,20,21)
InChIKeySUMKFMUSRQLNTL-UHFFFAOYSA-N
XLogP3.57
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-tert-butyl-2-naphthalen-1-ylpyrimidin-4-amine
CID 62203346
6-cyclopropyl-2-quinolin-8-ylpyrimidin-4-amine
CID 63970784
5-bromo-6-methyl-2-quinolin-8-ylpyrimidin-4-amine
CID 66303614
4-methoxy-6-quinolin-8-yl-1,3,5-triazin-2-amine
CID 81221199
6-tert-butyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
CID 115528413
6-quinolin-8-ylpyridin-2-amine
CID 81223969
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
2-(4-bromophenyl)-6-tert-butylpyrimidin-4-amine
CID 62191727
8-[4-[1-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]pyren-4-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline
CID 58233366
2-chloro-5-quinolin-8-ylaniline
CID 81224974
5-methyl-2-quinolin-8-ylpyridin-3-amine
CID 114050997
6-quinolin-8-ylpyrazin-2-amine
CID 81221904

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-quinolin-8-ylpyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-quinolin-8-ylpyrimidin-4-amine (CID 63970151) is 6-tert-butyl-2-quinolin-8-ylpyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-quinolin-8-ylpyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-quinolin-8-ylpyrimidin-4-amine is CC(C)(C)c1cc(N)nc(-c2cccc3cccnc23)n1.
What is the InChIKey of 6-tert-butyl-2-quinolin-8-ylpyrimidin-4-amine?
The InChIKey is SUMKFMUSRQLNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-17(2,3)13-10-14(18)21-16(20-13)12-8-4-6-11-7-5-9-19-15(11)12/h4-10H,1-3H3,(H2,18,20,21).
What are the key properties of 6-tert-butyl-2-quinolin-8-ylpyrimidin-4-amine?
6-tert-butyl-2-quinolin-8-ylpyrimidin-4-amine has a molecular weight of 278.36 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-quinolin-8-ylpyrimidin-4-amine is sourced from PubChem (CID 63970151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).