4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine

C14H11ClN2OS — CID 47002660

IUPAC4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
SMILESCOCc1nc(Cl)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C14H11ClN2OS/c1-18-7-11-16-13(15)12-10(8-19-14(12)17-11)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyLGEYDTOXPHBQJZ-UHFFFAOYSA-N
MW290.78 g/mol
LogP4.16
Rot. Bonds3

About 4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine

4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine (PubChem CID 47002660) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is 4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
PubChem CID47002660
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC Name4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
SMILESCOCc1nc(Cl)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C14H11ClN2OS/c1-18-7-11-16-13(15)12-10(8-19-14(12)17-11)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyLGEYDTOXPHBQJZ-UHFFFAOYSA-N
XLogP4.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-4-chloro-5-phenylthieno[2,3-d]pyrimidine
CID 12824912
3-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]sulfanyl-5-methyl-1,2,4-triazol-4-amine
CID 133278873
2-(methoxymethyl)-N-(1-methylsulfanylpropan-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133311829
N-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 133447047
2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]-5-phenylthieno[2,3-d]pyrimidine
CID 75418773
3-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]sulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-amine
CID 133369515
4-[(2-bromo-3-pyridinyl)oxy]-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
CID 133279160
2-(methoxymethyl)-N-(2-methylsulfonylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133279130
4-chloro-N-ethyl-5-phenylthieno[2,3-d]pyrimidin-2-amine
CID 82309519
4-(4-cyclopropylpiperazin-1-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
CID 133279186
2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133278697
N-cyclopropyl-1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-amine
CID 133381214

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine (CID 47002660) is 4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine is COCc1nc(Cl)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine?
The InChIKey is LGEYDTOXPHBQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c1-18-7-11-16-13(15)12-10(8-19-14(12)17-11)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3.
What are the key properties of 4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine?
4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine has a molecular weight of 290.78 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 47002660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).