6-methyl-5-propan-2-yl-2-quinolin-4-ylpyrimidin-4-amine

C17H18N4 — CID 63868655

IUPAC6-methyl-5-propan-2-yl-2-quinolin-4-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccnc3ccccc23)nc(N)c1C(C)C
InChIInChI=1S/C17H18N4/c1-10(2)15-11(3)20-17(21-16(15)18)13-8-9-19-14-7-5-4-6-12(13)14/h4-10H,1-3H3,(H2,18,20,21)
InChIKeyINYWSRFVZWSTQY-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.71
Rot. Bonds2

About 6-methyl-5-propan-2-yl-2-quinolin-4-ylpyrimidin-4-amine

6-methyl-5-propan-2-yl-2-quinolin-4-ylpyrimidin-4-amine (PubChem CID 63868655) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-methyl-5-propan-2-yl-2-quinolin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-5-propan-2-yl-2-quinolin-4-ylpyrimidin-4-amine
PubChem CID63868655
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name6-methyl-5-propan-2-yl-2-quinolin-4-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccnc3ccccc23)nc(N)c1C(C)C
InChIInChI=1S/C17H18N4/c1-10(2)15-11(3)20-17(21-16(15)18)13-8-9-19-14-7-5-4-6-12(13)14/h4-10H,1-3H3,(H2,18,20,21)
InChIKeyINYWSRFVZWSTQY-UHFFFAOYSA-N
XLogP3.71
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-naphthalen-1-yl-5-propan-2-ylpyrimidin-4-amine
CID 62916015
2-(2,4-dimethylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 62913279
N-ethyl-5,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine
CID 63867940
5-iodo-N,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine
CID 66297086
5-bromo-6-(methoxymethyl)-2-quinolin-4-ylpyrimidin-4-amine
CID 66297765
4-pyrimidin-2-ylquinoline
CID 123157198
6-methyl-2-(4-methylphenyl)-5-propan-2-ylpyrimidin-4-amine
CID 62914005
4-(4,6-dichloro-5-fluoropyrimidin-2-yl)quinoline
CID 80550830
2-(1,5-dimethylpyrazol-4-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 79584035
2-(2,5-dimethoxyphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 62913464
N-methyl-2-quinolin-4-ylpyrimidin-4-amine
CID 63867656
argon;4-methylquinoline
CID 175059803

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-propan-2-yl-2-quinolin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-methyl-5-propan-2-yl-2-quinolin-4-ylpyrimidin-4-amine (CID 63868655) is 6-methyl-5-propan-2-yl-2-quinolin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-5-propan-2-yl-2-quinolin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-5-propan-2-yl-2-quinolin-4-ylpyrimidin-4-amine is Cc1nc(-c2ccnc3ccccc23)nc(N)c1C(C)C.
What is the InChIKey of 6-methyl-5-propan-2-yl-2-quinolin-4-ylpyrimidin-4-amine?
The InChIKey is INYWSRFVZWSTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-10(2)15-11(3)20-17(21-16(15)18)13-8-9-19-14-7-5-4-6-12(13)14/h4-10H,1-3H3,(H2,18,20,21).
What are the key properties of 6-methyl-5-propan-2-yl-2-quinolin-4-ylpyrimidin-4-amine?
6-methyl-5-propan-2-yl-2-quinolin-4-ylpyrimidin-4-amine has a molecular weight of 278.36 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-propan-2-yl-2-quinolin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 63868655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).