6-chloro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-methylthieno[2,3-d]pyrimidin-4-amine

C20H23ClN4OS — CID 22182397

IUPAC6-chloro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1CN1CCC(Nc2ncnc3sc(Cl)c(C)c23)CC1
InChIInChI=1S/C20H23ClN4OS/c1-13-17-19(22-12-23-20(17)27-18(13)21)24-15-7-9-25(10-8-15)11-14-5-3-4-6-16(14)26-2/h3-6,12,15H,7-11H2,1-2H3,(H,22,23,24)
InChIKeyFPVKZYIBCVYSNX-UHFFFAOYSA-N
MW402.95 g/mol
LogP4.74
Rot. Bonds5

About 6-chloro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-methylthieno[2,3-d]pyrimidin-4-amine

6-chloro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 22182397) has the molecular formula C20H23ClN4OS and a molecular weight of 402.95 g/mol. Its IUPAC name is 6-chloro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID22182397
Molecular FormulaC20H23ClN4OS
Molecular Weight402.95 g/mol
Exact Mass402.13
IUPAC Name6-chloro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1CN1CCC(Nc2ncnc3sc(Cl)c(C)c23)CC1
InChIInChI=1S/C20H23ClN4OS/c1-13-17-19(22-12-23-20(17)27-18(13)21)24-15-7-9-25(10-8-15)11-14-5-3-4-6-16(14)26-2/h3-6,12,15H,7-11H2,1-2H3,(H,22,23,24)
InChIKeyFPVKZYIBCVYSNX-UHFFFAOYSA-N
XLogP4.74
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.95
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-methylthieno[2,3-d]pyrimidin-4-amine (CID 22182397) is 6-chloro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-methylthieno[2,3-d]pyrimidin-4-amine is COc1ccccc1CN1CCC(Nc2ncnc3sc(Cl)c(C)c23)CC1.
What is the InChIKey of 6-chloro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FPVKZYIBCVYSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4OS/c1-13-17-19(22-12-23-20(17)27-18(13)21)24-15-7-9-25(10-8-15)11-14-5-3-4-6-16(14)26-2/h3-6,12,15H,7-11H2,1-2H3,(H,22,23,24).
What are the key properties of 6-chloro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-methylthieno[2,3-d]pyrimidin-4-amine?
6-chloro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 402.95 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 22182397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).