4-chloro-5-methyl-6-propylthieno[2,3-d]pyrimidine

C10H11ClN2S — CID 1222542

IUPAC4-chloro-5-methyl-6-propylthieno[2,3-d]pyrimidine
SMILESCCCc1sc2ncnc(Cl)c2c1C
InChIInChI=1S/C10H11ClN2S/c1-3-4-7-6(2)8-9(11)12-5-13-10(8)14-7/h5H,3-4H2,1-2H3
InChIKeyWSNZBCPBDZXDBW-UHFFFAOYSA-N
MW226.73 g/mol
LogP3.61
Rot. Bonds2

About 4-chloro-5-methyl-6-propylthieno[2,3-d]pyrimidine

4-chloro-5-methyl-6-propylthieno[2,3-d]pyrimidine (PubChem CID 1222542) has the molecular formula C10H11ClN2S and a molecular weight of 226.73 g/mol. Its IUPAC name is 4-chloro-5-methyl-6-propylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-6-propylthieno[2,3-d]pyrimidine
PubChem CID1222542
Molecular FormulaC10H11ClN2S
Molecular Weight226.73 g/mol
Exact Mass226.03
IUPAC Name4-chloro-5-methyl-6-propylthieno[2,3-d]pyrimidine
SMILESCCCc1sc2ncnc(Cl)c2c1C
InChIInChI=1S/C10H11ClN2S/c1-3-4-7-6(2)8-9(11)12-5-13-10(8)14-7/h5H,3-4H2,1-2H3
InChIKeyWSNZBCPBDZXDBW-UHFFFAOYSA-N
XLogP3.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-pentyl-6-prop-2-enylthieno[2,3-d]pyrimidine
CID 87311547
4-chloro-6-ethyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidine
CID 28864492
4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carbonyl chloride
CID 87383771
ethyl 4-chloro-5-hydroxythieno[2,3-d]pyrimidine-6-carboxylate
CID 86604626
(6S)-4-chloro-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 929976
3-(4-chlorophenyl)-5-methyl-6-propyl-2-propylsulfanylthieno[2,3-d]pyrimidin-4-one
CID 126126190
4-propyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 110172539
4-chloro-5-(3-chloro-1H-indol-4-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 135340182
2-(4-amino-5-methylthieno[2,3-d]pyrimidin-6-yl)acetic acid
CID 3064744
ethyl 4-chloro-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-8-carboxylate
CID 117275160
4-chloro-6-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine
CID 28864504
6-chloro-N-ethyl-5-methylpyrimidin-4-amine
CID 63734594

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-6-propylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5-methyl-6-propylthieno[2,3-d]pyrimidine (CID 1222542) is 4-chloro-5-methyl-6-propylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-6-propylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5-methyl-6-propylthieno[2,3-d]pyrimidine is CCCc1sc2ncnc(Cl)c2c1C.
What is the InChIKey of 4-chloro-5-methyl-6-propylthieno[2,3-d]pyrimidine?
The InChIKey is WSNZBCPBDZXDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2S/c1-3-4-7-6(2)8-9(11)12-5-13-10(8)14-7/h5H,3-4H2,1-2H3.
What are the key properties of 4-chloro-5-methyl-6-propylthieno[2,3-d]pyrimidine?
4-chloro-5-methyl-6-propylthieno[2,3-d]pyrimidine has a molecular weight of 226.73 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-6-propylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 1222542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).