4-chloro-5,6-dimethyl-2-(phenylmethoxymethyl)thieno[2,3-d]pyrimidine

C16H15ClN2OS — CID 43146916

IUPAC4-chloro-5,6-dimethyl-2-(phenylmethoxymethyl)thieno[2,3-d]pyrimidine
SMILESCc1sc2nc(COCc3ccccc3)nc(Cl)c2c1C
InChIInChI=1S/C16H15ClN2OS/c1-10-11(2)21-16-14(10)15(17)18-13(19-16)9-20-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3
InChIKeyAOALRBPOPOYUTO-UHFFFAOYSA-N
MW318.83 g/mol
LogP4.68
Rot. Bonds4

About 4-chloro-5,6-dimethyl-2-(phenylmethoxymethyl)thieno[2,3-d]pyrimidine

4-chloro-5,6-dimethyl-2-(phenylmethoxymethyl)thieno[2,3-d]pyrimidine (PubChem CID 43146916) has the molecular formula C16H15ClN2OS and a molecular weight of 318.83 g/mol. Its IUPAC name is 4-chloro-5,6-dimethyl-2-(phenylmethoxymethyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5,6-dimethyl-2-(phenylmethoxymethyl)thieno[2,3-d]pyrimidine
PubChem CID43146916
Molecular FormulaC16H15ClN2OS
Molecular Weight318.83 g/mol
Exact Mass318.06
IUPAC Name4-chloro-5,6-dimethyl-2-(phenylmethoxymethyl)thieno[2,3-d]pyrimidine
SMILESCc1sc2nc(COCc3ccccc3)nc(Cl)c2c1C
InChIInChI=1S/C16H15ClN2OS/c1-10-11(2)21-16-14(10)15(17)18-13(19-16)9-20-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3
InChIKeyAOALRBPOPOYUTO-UHFFFAOYSA-N
XLogP4.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5,6-dimethyl-2-(phenoxymethyl)thieno[2,3-d]pyrimidine
CID 43329294
4-chloro-2-(methoxymethyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43146917
2-(butoxymethyl)-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43267662
4-chloro-5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidine
CID 43275113
2-[(2-bromophenyl)methyl]-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine
CID 63497508
4-chloro-2-[(2-chlorophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43146932
4-chloro-5,6-dimethyl-2-(pent-4-enoxymethyl)thieno[2,3-d]pyrimidine
CID 79114375
2-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]phenol
CID 62026693
4-chloro-2-(cyclohexyloxymethyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43329285
4-chloro-2-(3,3-dimethylbutyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 114211085
4-chloro-5,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine
CID 62800354
N'-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63693818

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,6-dimethyl-2-(phenylmethoxymethyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5,6-dimethyl-2-(phenylmethoxymethyl)thieno[2,3-d]pyrimidine (CID 43146916) is 4-chloro-5,6-dimethyl-2-(phenylmethoxymethyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5,6-dimethyl-2-(phenylmethoxymethyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5,6-dimethyl-2-(phenylmethoxymethyl)thieno[2,3-d]pyrimidine is Cc1sc2nc(COCc3ccccc3)nc(Cl)c2c1C.
What is the InChIKey of 4-chloro-5,6-dimethyl-2-(phenylmethoxymethyl)thieno[2,3-d]pyrimidine?
The InChIKey is AOALRBPOPOYUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2OS/c1-10-11(2)21-16-14(10)15(17)18-13(19-16)9-20-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3.
What are the key properties of 4-chloro-5,6-dimethyl-2-(phenylmethoxymethyl)thieno[2,3-d]pyrimidine?
4-chloro-5,6-dimethyl-2-(phenylmethoxymethyl)thieno[2,3-d]pyrimidine has a molecular weight of 318.83 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,6-dimethyl-2-(phenylmethoxymethyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 43146916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).