4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)quinoline

C16H13BrClN3 — CID 66313409

IUPAC4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)quinoline
SMILESCCCc1nc(-c2ccnc3ccccc23)nc(Cl)c1Br
InChIInChI=1S/C16H13BrClN3/c1-2-5-13-14(17)15(18)21-16(20-13)11-8-9-19-12-7-4-3-6-10(11)12/h3-4,6-9H,2,5H2,1H3
InChIKeyNFHFCJQLDVVKBF-UHFFFAOYSA-N
MW362.66 g/mol
LogP5.06
Rot. Bonds3

About 4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)quinoline

4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)quinoline (PubChem CID 66313409) has the molecular formula C16H13BrClN3 and a molecular weight of 362.66 g/mol. Its IUPAC name is 4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)quinoline.

Molecular Properties

Compound Name4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)quinoline
PubChem CID66313409
Molecular FormulaC16H13BrClN3
Molecular Weight362.66 g/mol
Exact Mass361.00
IUPAC Name4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)quinoline
SMILESCCCc1nc(-c2ccnc3ccccc23)nc(Cl)c1Br
InChIInChI=1S/C16H13BrClN3/c1-2-5-13-14(17)15(18)21-16(20-13)11-8-9-19-12-7-4-3-6-10(11)12/h3-4,6-9H,2,5H2,1H3
InChIKeyNFHFCJQLDVVKBF-UHFFFAOYSA-N
XLogP5.06
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.66
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4,6-dichloro-5-fluoropyrimidin-2-yl)quinoline
CID 80550830
5-bromo-4-chloro-2-[2-(methoxymethyl)phenyl]-6-propylpyrimidine
CID 66312435
5-bromo-6-(methoxymethyl)-2-quinolin-4-ylpyrimidin-4-amine
CID 66297765
N-methyl-6-propyl-2-quinolin-4-ylpyrimidin-4-amine
CID 63867494
5-bromo-4-chloro-2-(3-chlorophenyl)-6-propylpyrimidine
CID 66291931
5-bromo-4-chloro-6-propyl-2-thiophen-2-ylpyrimidine
CID 66292949
5-bromo-4-chloro-6-(methoxymethyl)-2-naphthalen-1-ylpyrimidine
CID 66294471
N-ethyl-5,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine
CID 63867940
5-bromo-4-chloro-6-propyl-2-(pyridin-2-ylmethyl)pyrimidine
CID 66292535
4-chloro-2-quinolin-4-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470805
4-pyrimidin-2-ylquinoline
CID 123157198
5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-propylpyrimidine
CID 103347902

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)quinoline?
The IUPAC name of 4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)quinoline (CID 66313409) is 4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)quinoline.
What is the SMILES notation for 4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)quinoline?
The canonical SMILES for 4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)quinoline is CCCc1nc(-c2ccnc3ccccc23)nc(Cl)c1Br.
What is the InChIKey of 4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)quinoline?
The InChIKey is NFHFCJQLDVVKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3/c1-2-5-13-14(17)15(18)21-16(20-13)11-8-9-19-12-7-4-3-6-10(11)12/h3-4,6-9H,2,5H2,1H3.
What are the key properties of 4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)quinoline?
4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)quinoline has a molecular weight of 362.66 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)quinoline is sourced from PubChem (CID 66313409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).