4,6-dichloro-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine

C15H14Cl2N2 — CID 55217602

IUPAC4,6-dichloro-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
SMILESCc1c(Cl)nc(C2CCCc3ccccc32)nc1Cl
InChIInChI=1S/C15H14Cl2N2/c1-9-13(16)18-15(19-14(9)17)12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12H,4,6,8H2,1H3
InChIKeySNCHTSLRGMJEBW-UHFFFAOYSA-N
MW293.20 g/mol
LogP4.56
Rot. Bonds1

About 4,6-dichloro-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine

4,6-dichloro-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine (PubChem CID 55217602) has the molecular formula C15H14Cl2N2 and a molecular weight of 293.20 g/mol. Its IUPAC name is 4,6-dichloro-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
PubChem CID55217602
Molecular FormulaC15H14Cl2N2
Molecular Weight293.20 g/mol
Exact Mass292.05
IUPAC Name4,6-dichloro-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
SMILESCc1c(Cl)nc(C2CCCc3ccccc32)nc1Cl
InChIInChI=1S/C15H14Cl2N2/c1-9-13(16)18-15(19-14(9)17)12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12H,4,6,8H2,1H3
InChIKeySNCHTSLRGMJEBW-UHFFFAOYSA-N
XLogP4.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 54.56
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
5-chloro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazole
CID 65266685
5-bromo-4-chloro-6-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 66293143
[5,6-dimethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]hydrazine
CID 63250464
6-methyl-5-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 63251001
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-4-carboxylic acid
CID 63250465
5,6-dimethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrimidine-4-thione
CID 106476770
4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 65413885
4-(chloromethyl)-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 114245062
1-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 159713815
[6-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]hydrazine
CID 63251093
5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-tetrazole
CID 129369108

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine (CID 55217602) is 4,6-dichloro-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine is Cc1c(Cl)nc(C2CCCc3ccccc32)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine?
The InChIKey is SNCHTSLRGMJEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2/c1-9-13(16)18-15(19-14(9)17)12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12H,4,6,8H2,1H3.
What are the key properties of 4,6-dichloro-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine?
4,6-dichloro-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine has a molecular weight of 293.20 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine is sourced from PubChem (CID 55217602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).