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

C15H15N3OS — CID 44583643

IUPACN-(4-methoxyphenyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(N(C)c2nc(C)nc3sccc23)cc1
InChIInChI=1S/C15H15N3OS/c1-10-16-14(13-8-9-20-15(13)17-10)18(2)11-4-6-12(19-3)7-5-11/h4-9H,1-3H3
InChIKeyDDCZNQAKRHXJRH-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.78
Rot. Bonds3

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

N-(4-methoxyphenyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 44583643) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID44583643
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-(4-methoxyphenyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(N(C)c2nc(C)nc3sccc23)cc1
InChIInChI=1S/C15H15N3OS/c1-10-16-14(13-8-9-20-15(13)17-10)18(2)11-4-6-12(19-3)7-5-11/h4-9H,1-3H3
InChIKeyDDCZNQAKRHXJRH-UHFFFAOYSA-N
XLogP3.78
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Phenoxythieno[2,3-d]pyrimidine
CID 710993
2-Methylthieno[2,3-d]pyrimidin-4-yl phenyl ether
CID 1233965
N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2457693
N-(2,5-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2508929
N-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2443590
N-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2503621
N-(2,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2519505
N-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 5157219
N-(2-methoxy-5-methylphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 5185787
4-(6-Ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-ylamino)-phenol
CID 6458036
(2,4-Dimethoxy-phenyl)-(6-methyl-thieno[2,3-d]pyrimidin-4-yl)-amine
CID 16370449
N-(4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine hydrochloride
CID 16370450

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 44583643) is N-(4-methoxyphenyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine is COc1ccc(N(C)c2nc(C)nc3sccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DDCZNQAKRHXJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10-16-14(13-8-9-20-15(13)17-10)18(2)11-4-6-12(19-3)7-5-11/h4-9H,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-(4-methoxyphenyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 285.37 g/mol, XLogP of 3.78, 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,2-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 44583643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).