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

C14H13N3OS — CID 16666961

IUPACN-(4-methoxyphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(N(C)c2ncnc3sccc23)cc1
InChIInChI=1S/C14H13N3OS/c1-17(10-3-5-11(18-2)6-4-10)13-12-7-8-19-14(12)16-9-15-13/h3-9H,1-2H3
InChIKeyNQTBSCQAZVZCRF-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.47
Rot. Bonds3

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

N-(4-methoxyphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 16666961) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID16666961
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC NameN-(4-methoxyphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(N(C)c2ncnc3sccc23)cc1
InChIInChI=1S/C14H13N3OS/c1-17(10-3-5-11(18-2)6-4-10)13-12-7-8-19-14(12)16-9-15-13/h3-9H,1-2H3
InChIKeyNQTBSCQAZVZCRF-UHFFFAOYSA-N
XLogP3.47
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Thienopyrimidine deriv. 15
CID 6539992
4-Phenoxythieno[2,3-d]pyrimidine
CID 710993
2-Methylthieno[2,3-d]pyrimidin-4-yl phenyl ether
CID 1233965
N-[(3,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2457290
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-(3,4-dimethoxyphenyl)ethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 2401215
N-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2443590
T5282004
CID 2468821
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

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 16666961) is N-(4-methoxyphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine is COc1ccc(N(C)c2ncnc3sccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NQTBSCQAZVZCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-17(10-3-5-11(18-2)6-4-10)13-12-7-8-19-14(12)16-9-15-13/h3-9H,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
N-(4-methoxyphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 271.35 g/mol, XLogP of 3.47, 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-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 16666961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).