5-bromo-4-chloro-6-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine

C17H18BrClN2 — CID 66293143

IUPAC5-bromo-4-chloro-6-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
SMILESCCCc1nc(C2CCCc3ccccc32)nc(Cl)c1Br
InChIInChI=1S/C17H18BrClN2/c1-2-6-14-15(18)16(19)21-17(20-14)13-10-5-8-11-7-3-4-9-12(11)13/h3-4,7,9,13H,2,5-6,8,10H2,1H3
InChIKeyRTLQVYUJCYMAIY-UHFFFAOYSA-N
MW365.70 g/mol
LogP5.31
Rot. Bonds3

About 5-bromo-4-chloro-6-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine

5-bromo-4-chloro-6-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine (PubChem CID 66293143) has the molecular formula C17H18BrClN2 and a molecular weight of 365.70 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
PubChem CID66293143
Molecular FormulaC17H18BrClN2
Molecular Weight365.70 g/mol
Exact Mass364.03
IUPAC Name5-bromo-4-chloro-6-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
SMILESCCCc1nc(C2CCCc3ccccc32)nc(Cl)c1Br
InChIInChI=1S/C17H18BrClN2/c1-2-6-14-15(18)16(19)21-17(20-14)13-10-5-8-11-7-3-4-9-12(11)13/h3-4,7,9,13H,2,5-6,8,10H2,1H3
InChIKeyRTLQVYUJCYMAIY-UHFFFAOYSA-N
XLogP5.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.70
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dichloro-5-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 63611983
4,6-dichloro-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 55217602
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-bromo-4-chloro-6-(methoxymethyl)pyrimidine
CID 66292821
[6-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]hydrazine
CID 63251092
5-bromo-4-chloro-2-cyclopropyl-6-propylpyrimidine
CID 66293970
4-(chloromethyl)-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 114245062
5-chloro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazole
CID 65266685
5-bromo-4-chloro-2-(1-phenylcyclobutyl)-6-propylpyrimidine
CID 66293144
4-(2,3-dihydro-1H-inden-1-yl)-6-propyl-1,3,5-triazin-2-amine
CID 65403941
[6-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]hydrazine
CID 63251093
(1R)-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565328
N-[[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 63247100

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine (CID 66293143) is 5-bromo-4-chloro-6-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine is CCCc1nc(C2CCCc3ccccc32)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine?
The InChIKey is RTLQVYUJCYMAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN2/c1-2-6-14-15(18)16(19)21-17(20-14)13-10-5-8-11-7-3-4-9-12(11)13/h3-4,7,9,13H,2,5-6,8,10H2,1H3.
What are the key properties of 5-bromo-4-chloro-6-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine?
5-bromo-4-chloro-6-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine has a molecular weight of 365.70 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine is sourced from PubChem (CID 66293143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).