N-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine

C14H12ClN3OS — CID 16731202

IUPACN-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1c(Cl)cccc1Nc1ncnc2scc(C)c12
InChIInChI=1S/C14H12ClN3OS/c1-8-6-20-14-11(8)13(16-7-17-14)18-10-5-3-4-9(15)12(10)19-2/h3-7H,1-2H3,(H,16,17,18)
InChIKeyKIOPOKHFFYWPGJ-UHFFFAOYSA-N
MW305.79 g/mol
LogP4.41
Rot. Bonds3

About N-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine

N-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 16731202) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is N-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID16731202
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC NameN-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1c(Cl)cccc1Nc1ncnc2scc(C)c12
InChIInChI=1S/C14H12ClN3OS/c1-8-6-20-14-11(8)13(16-7-17-14)18-10-5-3-4-9(15)12(10)19-2/h3-7H,1-2H3,(H,16,17,18)
InChIKeyKIOPOKHFFYWPGJ-UHFFFAOYSA-N
XLogP4.41
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine (CID 16731202) is N-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine is COc1c(Cl)cccc1Nc1ncnc2scc(C)c12.
What is the InChIKey of N-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KIOPOKHFFYWPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c1-8-6-20-14-11(8)13(16-7-17-14)18-10-5-3-4-9(15)12(10)19-2/h3-7H,1-2H3,(H,16,17,18).
What are the key properties of N-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine?
N-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 305.79 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 16731202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).