4-N-(5-chloro-2-pyridinyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine

C18H13ClN6O — CID 19141766

IUPAC4-N-(5-chloro-2-pyridinyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
SMILESNc1c(Nc2ccc(Cl)cn2)ncnc1Oc1cccc2cccnc12
InChIInChI=1S/C18H13ClN6O/c19-12-6-7-14(22-9-12)25-17-15(20)18(24-10-23-17)26-13-5-1-3-11-4-2-8-21-16(11)13/h1-10H,20H2,(H,22,23,24,25)
InChIKeyBGVIFUZQSDTCQL-UHFFFAOYSA-N
MW364.80 g/mol
LogP4.19
Rot. Bonds4

About 4-N-(5-chloro-2-pyridinyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine

4-N-(5-chloro-2-pyridinyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine (PubChem CID 19141766) has the molecular formula C18H13ClN6O and a molecular weight of 364.80 g/mol. Its IUPAC name is 4-N-(5-chloro-2-pyridinyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-pyridinyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
PubChem CID19141766
Molecular FormulaC18H13ClN6O
Molecular Weight364.80 g/mol
Exact Mass364.08
IUPAC Name4-N-(5-chloro-2-pyridinyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
SMILESNc1c(Nc2ccc(Cl)cn2)ncnc1Oc1cccc2cccnc12
InChIInChI=1S/C18H13ClN6O/c19-12-6-7-14(22-9-12)25-17-15(20)18(24-10-23-17)26-13-5-1-3-11-4-2-8-21-16(11)13/h1-10H,20H2,(H,22,23,24,25)
InChIKeyBGVIFUZQSDTCQL-UHFFFAOYSA-N
XLogP4.19
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(4-propan-2-ylphenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 22547806
4-N-(2-bromophenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141774
6-N-(5-chloro-2-pyridinyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19144597
4-N-cycloheptyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141861
4-N-prop-2-enyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19135970
4-N-cyclohexyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19135779
6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5-diamine
CID 19147139
4-N-(3-methylbutyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141836
4-N-(5-chloro-2-pyridinyl)-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19147076
N-(5-chloro-2-pyridinyl)-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine
CID 23493980
4-N-(2,5-dichlorophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141921
4-N-(5-chloro-2-pyridinyl)-6-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543893

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-pyridinyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(5-chloro-2-pyridinyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine (CID 19141766) is 4-N-(5-chloro-2-pyridinyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(5-chloro-2-pyridinyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(5-chloro-2-pyridinyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine is Nc1c(Nc2ccc(Cl)cn2)ncnc1Oc1cccc2cccnc12.
What is the InChIKey of 4-N-(5-chloro-2-pyridinyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine?
The InChIKey is BGVIFUZQSDTCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN6O/c19-12-6-7-14(22-9-12)25-17-15(20)18(24-10-23-17)26-13-5-1-3-11-4-2-8-21-16(11)13/h1-10H,20H2,(H,22,23,24,25).
What are the key properties of 4-N-(5-chloro-2-pyridinyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine?
4-N-(5-chloro-2-pyridinyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine has a molecular weight of 364.80 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-pyridinyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 19141766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).