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

C15H14ClN3OS — CID 4060716

IUPACN-(5-chloro-2-methoxyphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Cl)cc1Nc1nc(C)nc2sc(C)cc12
InChIInChI=1S/C15H14ClN3OS/c1-8-6-11-14(17-9(2)18-15(11)21-8)19-12-7-10(16)4-5-13(12)20-3/h4-7H,1-3H3,(H,17,18,19)
InChIKeyMUBSGNURRLYUTH-UHFFFAOYSA-N
MW319.82 g/mol
LogP4.71
Rot. Bonds3

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

N-(5-chloro-2-methoxyphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 4060716) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID4060716
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Cl)cc1Nc1nc(C)nc2sc(C)cc12
InChIInChI=1S/C15H14ClN3OS/c1-8-6-11-14(17-9(2)18-15(11)21-8)19-12-7-10(16)4-5-13(12)20-3/h4-7H,1-3H3,(H,17,18,19)
InChIKeyMUBSGNURRLYUTH-UHFFFAOYSA-N
XLogP4.71
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 4060716) is N-(5-chloro-2-methoxyphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine is COc1ccc(Cl)cc1Nc1nc(C)nc2sc(C)cc12.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MUBSGNURRLYUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-8-6-11-14(17-9(2)18-15(11)21-8)19-12-7-10(16)4-5-13(12)20-3/h4-7H,1-3H3,(H,17,18,19).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-(5-chloro-2-methoxyphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 319.82 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4060716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).