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

C18H17ClN6 — CID 19147069

IUPAC4-N-(5-chloro-2-pyridinyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine
SMILESNc1c(Nc2ccc(Cl)cn2)ncnc1N1CCCc2ccccc21
InChIInChI=1S/C18H17ClN6/c19-13-7-8-15(21-10-13)24-17-16(20)18(23-11-22-17)25-9-3-5-12-4-1-2-6-14(12)25/h1-2,4,6-8,10-11H,3,5,9,20H2,(H,21,22,23,24)
InChIKeyYPHHFINFWYQALR-UHFFFAOYSA-N
MW352.83 g/mol
LogP3.94
Rot. Bonds3

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

4-N-(5-chloro-2-pyridinyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine (PubChem CID 19147069) has the molecular formula C18H17ClN6 and a molecular weight of 352.83 g/mol. Its IUPAC name is 4-N-(5-chloro-2-pyridinyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-pyridinyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine
PubChem CID19147069
Molecular FormulaC18H17ClN6
Molecular Weight352.83 g/mol
Exact Mass352.12
IUPAC Name4-N-(5-chloro-2-pyridinyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine
SMILESNc1c(Nc2ccc(Cl)cn2)ncnc1N1CCCc2ccccc21
InChIInChI=1S/C18H17ClN6/c19-13-7-8-15(21-10-13)24-17-16(20)18(23-11-22-17)25-9-3-5-12-4-1-2-6-14(12)25/h1-2,4,6-8,10-11H,3,5,9,20H2,(H,21,22,23,24)
InChIKeyYPHHFINFWYQALR-UHFFFAOYSA-N
XLogP3.94
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine
CID 22543241
4-N-(3,4-dichlorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4,5-diamine
CID 22543153
4-N-butan-2-yl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine
CID 19147403
6-(2,3-dihydroindol-1-yl)-4-N-pyridin-3-ylpyrimidine-4,5-diamine
CID 22543223
4-N-tert-butyl-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22540285
6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine
CID 19147420
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)-4-N,4-N-dimethylpyrimidine-4,5-diamine
CID 19136949
1-(6-chloro-5-ethylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline
CID 63735943
4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-amine
CID 79910683

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-pyridinyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(5-chloro-2-pyridinyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine (CID 19147069) is 4-N-(5-chloro-2-pyridinyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(5-chloro-2-pyridinyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(5-chloro-2-pyridinyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine is Nc1c(Nc2ccc(Cl)cn2)ncnc1N1CCCc2ccccc21.
What is the InChIKey of 4-N-(5-chloro-2-pyridinyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine?
The InChIKey is YPHHFINFWYQALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6/c19-13-7-8-15(21-10-13)24-17-16(20)18(23-11-22-17)25-9-3-5-12-4-1-2-6-14(12)25/h1-2,4,6-8,10-11H,3,5,9,20H2,(H,21,22,23,24).
What are the key properties of 4-N-(5-chloro-2-pyridinyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine?
4-N-(5-chloro-2-pyridinyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine has a molecular weight of 352.83 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-pyridinyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19147069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).