4-chloro-2-(1,4-dithian-2-yl)-6-propylpyrimidine

C11H15ClN2S2 — CID 79972992

IUPAC4-chloro-2-(1,4-dithian-2-yl)-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(C2CSCCS2)n1
InChIInChI=1S/C11H15ClN2S2/c1-2-3-8-6-10(12)14-11(13-8)9-7-15-4-5-16-9/h6,9H,2-5,7H2,1H3
InChIKeyNFIGPTCIWJPDIU-UHFFFAOYSA-N
MW274.84 g/mol
LogP3.60
Rot. Bonds3

About 4-chloro-2-(1,4-dithian-2-yl)-6-propylpyrimidine

4-chloro-2-(1,4-dithian-2-yl)-6-propylpyrimidine (PubChem CID 79972992) has the molecular formula C11H15ClN2S2 and a molecular weight of 274.84 g/mol. Its IUPAC name is 4-chloro-2-(1,4-dithian-2-yl)-6-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1,4-dithian-2-yl)-6-propylpyrimidine
PubChem CID79972992
Molecular FormulaC11H15ClN2S2
Molecular Weight274.84 g/mol
Exact Mass274.04
IUPAC Name4-chloro-2-(1,4-dithian-2-yl)-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(C2CSCCS2)n1
InChIInChI=1S/C11H15ClN2S2/c1-2-3-8-6-10(12)14-11(13-8)9-7-15-4-5-16-9/h6,9H,2-5,7H2,1H3
InChIKeyNFIGPTCIWJPDIU-UHFFFAOYSA-N
XLogP3.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(1,4-dithian-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715373
2-(1,4-dithian-2-yl)-6-ethyl-N-methylpyrimidin-4-amine
CID 79966167
2-(1,4-dithian-2-yl)-6-ethyl-N-propylpyrimidin-4-amine
CID 79966267
4-chloro-2-cyclooctyl-6-propylpyrimidine
CID 80602535
5-bromo-4-chloro-2-(1,4-dithian-2-yl)-6-ethylpyrimidine
CID 79972998
4-chloro-2-(3-methylcyclohexyl)-6-propylpyrimidine
CID 63405027
6-propyl-2-(thian-2-yl)pyrimidin-4-amine
CID 80636664
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-chloro-6-propylpyrimidine
CID 64982448
2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 79965495
4-chloro-2-(3-methyl-1,4-dithian-2-yl)-6-(2-methylpropyl)pyrimidine
CID 115385600
N-[[2-(1,4-dithian-2-yl)pyrimidin-5-yl]methyl]ethanamine
CID 79966084
4-chloro-N-cyclopropyl-6-propylpyrimidin-2-amine
CID 82461167

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1,4-dithian-2-yl)-6-propylpyrimidine?
The IUPAC name of 4-chloro-2-(1,4-dithian-2-yl)-6-propylpyrimidine (CID 79972992) is 4-chloro-2-(1,4-dithian-2-yl)-6-propylpyrimidine.
What is the SMILES notation for 4-chloro-2-(1,4-dithian-2-yl)-6-propylpyrimidine?
The canonical SMILES for 4-chloro-2-(1,4-dithian-2-yl)-6-propylpyrimidine is CCCc1cc(Cl)nc(C2CSCCS2)n1.
What is the InChIKey of 4-chloro-2-(1,4-dithian-2-yl)-6-propylpyrimidine?
The InChIKey is NFIGPTCIWJPDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2S2/c1-2-3-8-6-10(12)14-11(13-8)9-7-15-4-5-16-9/h6,9H,2-5,7H2,1H3.
What are the key properties of 4-chloro-2-(1,4-dithian-2-yl)-6-propylpyrimidine?
4-chloro-2-(1,4-dithian-2-yl)-6-propylpyrimidine has a molecular weight of 274.84 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1,4-dithian-2-yl)-6-propylpyrimidine is sourced from PubChem (CID 79972992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).