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

C14H13N3OS — CID 2457693

IUPACN-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2ncnc3sccc23)cc1
InChIInChI=1S/C14H13N3OS/c1-18-11-4-2-10(3-5-11)8-15-13-12-6-7-19-14(12)17-9-16-13/h2-7,9H,8H2,1H3,(H,15,16,17)
InChIKeyFJGLKCHDKKGMDH-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.31
Rot. Bonds4

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

N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2457693) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID2457693
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC NameN-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2ncnc3sccc23)cc1
InChIInChI=1S/C14H13N3OS/c1-18-11-4-2-10(3-5-11)8-15-13-12-6-7-19-14(12)17-9-16-13/h2-7,9H,8H2,1H3,(H,15,16,17)
InChIKeyFJGLKCHDKKGMDH-UHFFFAOYSA-N
XLogP3.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 17393154
N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 75493496
2-butyl-N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 100926026
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 4798081
N-(2-methoxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 115658497
N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 13038283
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 17418626
N-(1,3-benzothiazol-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 31618595
N-methyl-1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)methanamine
CID 106486840
N-(cyclopropylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 43112087
N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 49430878
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133342162

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 2457693) is N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is COc1ccc(CNc2ncnc3sccc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FJGLKCHDKKGMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-18-11-4-2-10(3-5-11)8-15-13-12-6-7-19-14(12)17-9-16-13/h2-7,9H,8H2,1H3,(H,15,16,17).
What are the key properties of N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 271.35 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2457693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).