4-N-butan-2-yl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine

C17H23N5 — CID 19147403

IUPAC4-N-butan-2-yl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine
SMILESCCC(C)Nc1ncnc(N2CCCc3ccccc32)c1N
InChIInChI=1S/C17H23N5/c1-3-12(2)21-16-15(18)17(20-11-19-16)22-10-6-8-13-7-4-5-9-14(13)22/h4-5,7,9,11-12H,3,6,8,10,18H2,1-2H3,(H,19,20,21)
InChIKeyISOASGQPJHSQOB-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.35
Rot. Bonds4

About 4-N-butan-2-yl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine

4-N-butan-2-yl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine (PubChem CID 19147403) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 4-N-butan-2-yl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine
PubChem CID19147403
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name4-N-butan-2-yl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine
SMILESCCC(C)Nc1ncnc(N2CCCc3ccccc32)c1N
InChIInChI=1S/C17H23N5/c1-3-12(2)21-16-15(18)17(20-11-19-16)22-10-6-8-13-7-4-5-9-14(13)22/h4-5,7,9,11-12H,3,6,8,10,18H2,1-2H3,(H,19,20,21)
InChIKeyISOASGQPJHSQOB-UHFFFAOYSA-N
XLogP3.35
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,5-diamine
CID 19147319
6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 22545603
N'-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19147361
6-(3,4-dihydro-2H-quinolin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80749716
6-(3,4-dihydro-2H-quinolin-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine
CID 19136949
4-N-(5-chloro-2-pyridinyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine
CID 19147069
1-(6-chloro-5-ethylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline
CID 63735943
6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine
CID 22543241
4-(3,4-dihydro-2H-quinolin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine
CID 19138753
6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine
CID 19147420
ethyl 4-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 19147410
6-(2,3-dihydroindol-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
CID 22543176

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-butan-2-yl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine (CID 19147403) is 4-N-butan-2-yl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-butan-2-yl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-butan-2-yl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine is CCC(C)Nc1ncnc(N2CCCc3ccccc32)c1N.
What is the InChIKey of 4-N-butan-2-yl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine?
The InChIKey is ISOASGQPJHSQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-3-12(2)21-16-15(18)17(20-11-19-16)22-10-6-8-13-7-4-5-9-14(13)22/h4-5,7,9,11-12H,3,6,8,10,18H2,1-2H3,(H,19,20,21).
What are the key properties of 4-N-butan-2-yl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine?
4-N-butan-2-yl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine has a molecular weight of 297.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19147403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).