N-(4-methoxyphenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

C16H17N3OS — CID 16667010

IUPACN-(4-methoxyphenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(N(C)c2ncnc3sc(C)c(C)c23)cc1
InChIInChI=1S/C16H17N3OS/c1-10-11(2)21-16-14(10)15(17-9-18-16)19(3)12-5-7-13(20-4)8-6-12/h5-9H,1-4H3
InChIKeyRPQUMCULSRSWFT-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.08
Rot. Bonds3

About N-(4-methoxyphenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

N-(4-methoxyphenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 16667010) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID16667010
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-(4-methoxyphenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(N(C)c2ncnc3sc(C)c(C)c23)cc1
InChIInChI=1S/C16H17N3OS/c1-10-11(2)21-16-14(10)15(17-9-18-16)19(3)12-5-7-13(20-4)8-6-12/h5-9H,1-4H3
InChIKeyRPQUMCULSRSWFT-UHFFFAOYSA-N
XLogP4.08
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (CID 16667010) is N-(4-methoxyphenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is COc1ccc(N(C)c2ncnc3sc(C)c(C)c23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RPQUMCULSRSWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-10-11(2)21-16-14(10)15(17-9-18-16)19(3)12-5-7-13(20-4)8-6-12/h5-9H,1-4H3.
What are the key properties of N-(4-methoxyphenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
N-(4-methoxyphenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 299.40 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 16667010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).