3-chloro-5-methylpyridine;2,5-dimethylpyrimidin-4-amine;2-methyl-5-propan-2-ylpyrimidine;3-methylpyridine;3-methylthiophene;2,4,6-trimethylpyridine

C39H51ClN8S — CID 158281154

IUPAC3-chloro-5-methylpyridine;2,5-dimethylpyrimidin-4-amine;2-methyl-5-propan-2-ylpyrimidine;3-methylpyridine;3-methylthiophene;2,4,6-trimethylpyridine
SMILESCc1cc(C)nc(C)c1.Cc1cccnc1.Cc1ccsc1.Cc1cncc(Cl)c1.Cc1ncc(C(C)C)cn1.Cc1ncc(C)c(N)n1
InChIInChI=1S/C8H12N2.C8H11N.C6H6ClN.C6H9N3.C6H7N.C5H6S/c1-6(2)8-4-9-7(3)10-5-8;1-6-4-7(2)9-8(3)5-6;1-5-2-6(7)4-8-3-5;1-4-3-8-5(2)9-6(4)7;1-6-3-2-4-7-5-6;1-5-2-3-6-4-5/h4-6H,1-3H3;4-5H,1-3H3;2-4H,1H3;3H,1-2H3,(H2,7,8,9);2-5H,1H3;2-4H,1H3
InChIKeyGKFNAMDNTLPTEG-UHFFFAOYSA-N
MW699.41 g/mol
LogP10.08
Rot. Bonds1

About 3-chloro-5-methylpyridine;2,5-dimethylpyrimidin-4-amine;2-methyl-5-propan-2-ylpyrimidine;3-methylpyridine;3-methylthiophene;2,4,6-trimethylpyridine

3-chloro-5-methylpyridine;2,5-dimethylpyrimidin-4-amine;2-methyl-5-propan-2-ylpyrimidine;3-methylpyridine;3-methylthiophene;2,4,6-trimethylpyridine (PubChem CID 158281154) has the molecular formula C39H51ClN8S and a molecular weight of 699.41 g/mol. Its IUPAC name is 3-chloro-5-methylpyridine;2,5-dimethylpyrimidin-4-amine;2-methyl-5-propan-2-ylpyrimidine;3-methylpyridine;3-methylthiophene;2,4,6-trimethylpyridine.

Molecular Properties

Compound Name3-chloro-5-methylpyridine;2,5-dimethylpyrimidin-4-amine;2-methyl-5-propan-2-ylpyrimidine;3-methylpyridine;3-methylthiophene;2,4,6-trimethylpyridine
PubChem CID158281154
Molecular FormulaC39H51ClN8S
Molecular Weight699.41 g/mol
Exact Mass698.36
IUPAC Name3-chloro-5-methylpyridine;2,5-dimethylpyrimidin-4-amine;2-methyl-5-propan-2-ylpyrimidine;3-methylpyridine;3-methylthiophene;2,4,6-trimethylpyridine
SMILESCc1cc(C)nc(C)c1.Cc1cccnc1.Cc1ccsc1.Cc1cncc(Cl)c1.Cc1ncc(C(C)C)cn1.Cc1ncc(C)c(N)n1
InChIInChI=1S/C8H12N2.C8H11N.C6H6ClN.C6H9N3.C6H7N.C5H6S/c1-6(2)8-4-9-7(3)10-5-8;1-6-4-7(2)9-8(3)5-6;1-5-2-6(7)4-8-3-5;1-4-3-8-5(2)9-6(4)7;1-6-3-2-4-7-5-6;1-5-2-3-6-4-5/h4-6H,1-3H3;4-5H,1-3H3;2-4H,1H3;3H,1-2H3,(H2,7,8,9);2-5H,1H3;2-4H,1H3
InChIKeyGKFNAMDNTLPTEG-UHFFFAOYSA-N
XLogP10.08
TPSA116.25 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.41
LogP ≤ 510.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-chloro-5-methylpyridine;2,5-dimethylpyrimidin-4-amine;2-methyl-5-propan-2-ylpyrimidine;3-methylpyridine;3-methylthiophene;2,4,6-trimethylpyridine with MolForge

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Launch Full Analysis

Related Compounds

N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]-6-(Thiophen-3-Yl)pyrimidine-2,4-Diamine
CID 124220259
4-[4-(5-Chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
CID 2796225
(1R)-N'-[5-chloro-2-(5-chloro-2-pyridinyl)-6-methylpyrimidin-4-yl]-1-phenyl-N-(4-thiophen-2-ylbutyl)ethane-1,2-diamine
CID 71602650
N-(7-chloroquinolin-4-yl)-N'-[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 155514474
N-(7-chloroquinolin-4-yl)-N'-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 155516493
N-(7-chloroquinolin-4-yl)-N'-[2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 155517446
N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 155528050
N-(7-chloroquinolin-4-yl)-N'-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 155554235
N-(7-chloroquinolin-4-yl)-N'-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 155558173
5-chloro-4-N-pyridin-2-yl-2-N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-2,4-diamine
CID 168276688
5-chloro-4-N-piperidin-4-yl-2-N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-2,4-diamine
CID 168278253
4-N-(3-aminophenyl)-5-chloro-2-N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-2,4-diamine
CID 168279119

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methylpyridine;2,5-dimethylpyrimidin-4-amine;2-methyl-5-propan-2-ylpyrimidine;3-methylpyridine;3-methylthiophene;2,4,6-trimethylpyridine?
The IUPAC name of 3-chloro-5-methylpyridine;2,5-dimethylpyrimidin-4-amine;2-methyl-5-propan-2-ylpyrimidine;3-methylpyridine;3-methylthiophene;2,4,6-trimethylpyridine (CID 158281154) is 3-chloro-5-methylpyridine;2,5-dimethylpyrimidin-4-amine;2-methyl-5-propan-2-ylpyrimidine;3-methylpyridine;3-methylthiophene;2,4,6-trimethylpyridine.
What is the SMILES notation for 3-chloro-5-methylpyridine;2,5-dimethylpyrimidin-4-amine;2-methyl-5-propan-2-ylpyrimidine;3-methylpyridine;3-methylthiophene;2,4,6-trimethylpyridine?
The canonical SMILES for 3-chloro-5-methylpyridine;2,5-dimethylpyrimidin-4-amine;2-methyl-5-propan-2-ylpyrimidine;3-methylpyridine;3-methylthiophene;2,4,6-trimethylpyridine is Cc1cc(C)nc(C)c1.Cc1cccnc1.Cc1ccsc1.Cc1cncc(Cl)c1.Cc1ncc(C(C)C)cn1.Cc1ncc(C)c(N)n1.
What is the InChIKey of 3-chloro-5-methylpyridine;2,5-dimethylpyrimidin-4-amine;2-methyl-5-propan-2-ylpyrimidine;3-methylpyridine;3-methylthiophene;2,4,6-trimethylpyridine?
The InChIKey is GKFNAMDNTLPTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C8H11N.C6H6ClN.C6H9N3.C6H7N.C5H6S/c1-6(2)8-4-9-7(3)10-5-8;1-6-4-7(2)9-8(3)5-6;1-5-2-6(7)4-8-3-5;1-4-3-8-5(2)9-6(4)7;1-6-3-2-4-7-5-6;1-5-2-3-6-4-5/h4-6H,1-3H3;4-5H,1-3H3;2-4H,1H3;3H,1-2H3,(H2,7,8,9);2-5H,1H3;2-4H,1H3.
What are the key properties of 3-chloro-5-methylpyridine;2,5-dimethylpyrimidin-4-amine;2-methyl-5-propan-2-ylpyrimidine;3-methylpyridine;3-methylthiophene;2,4,6-trimethylpyridine?
3-chloro-5-methylpyridine;2,5-dimethylpyrimidin-4-amine;2-methyl-5-propan-2-ylpyrimidine;3-methylpyridine;3-methylthiophene;2,4,6-trimethylpyridine has a molecular weight of 699.41 g/mol, XLogP of 10.08, 1 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methylpyridine;2,5-dimethylpyrimidin-4-amine;2-methyl-5-propan-2-ylpyrimidine;3-methylpyridine;3-methylthiophene;2,4,6-trimethylpyridine is sourced from PubChem (CID 158281154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).