N-[1-(4-methoxyphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine

C16H17N3OS — CID 102686565

IUPACN-[1-(4-methoxyphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(C(C)Nc2ncnc3c(C)csc23)cc1
InChIInChI=1S/C16H17N3OS/c1-10-8-21-15-14(10)17-9-18-16(15)19-11(2)12-4-6-13(20-3)7-5-12/h4-9,11H,1-3H3,(H,17,18,19)
InChIKeyMTIGBXRLXQUJQJ-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.18
Rot. Bonds4

About N-[1-(4-methoxyphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine

N-[1-(4-methoxyphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 102686565) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID102686565
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(C(C)Nc2ncnc3c(C)csc23)cc1
InChIInChI=1S/C16H17N3OS/c1-10-8-21-15-14(10)17-9-18-16(15)19-11(2)12-4-6-13(20-3)7-5-12/h4-9,11H,1-3H3,(H,17,18,19)
InChIKeyMTIGBXRLXQUJQJ-UHFFFAOYSA-N
XLogP4.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methyl-N-[1-(4-methylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 102686398
N-[1-(4-aminophenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686965
N-[1-(4-fluorophenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686383
N-[1-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 62048196
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-amine
CID 39893090
5-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 15916528
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686571
7-methyl-N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 102686212
N-methyl-2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propanamide
CID 102686363
5-ethyl-6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 80924266
5-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 80851098
1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
CID 102686862

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine (CID 102686565) is N-[1-(4-methoxyphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine is COc1ccc(C(C)Nc2ncnc3c(C)csc23)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is MTIGBXRLXQUJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-10-8-21-15-14(10)17-9-18-16(15)19-11(2)12-4-6-13(20-3)7-5-12/h4-9,11H,1-3H3,(H,17,18,19).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
N-[1-(4-methoxyphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 299.40 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 102686565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).