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

C15H15N3OS — CID 35790116

IUPACN-[(4-methoxyphenyl)methyl]-N-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(CN(C)c2ncnc3ccsc23)cc1
InChIInChI=1S/C15H15N3OS/c1-18(9-11-3-5-12(19-2)6-4-11)15-14-13(7-8-20-14)16-10-17-15/h3-8,10H,9H2,1-2H3
InChIKeyDMKSAHQQOKCRCU-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.34
Rot. Bonds4

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

N-[(4-methoxyphenyl)methyl]-N-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 35790116) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID35790116
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(CN(C)c2ncnc3ccsc23)cc1
InChIInChI=1S/C15H15N3OS/c1-18(9-11-3-5-12(19-2)6-4-11)15-14-13(7-8-20-14)16-10-17-15/h3-8,10H,9H2,1-2H3
InChIKeyDMKSAHQQOKCRCU-UHFFFAOYSA-N
XLogP3.34
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 35790315
N-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine
CID 165435267
4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80794758
1-N-methyl-1-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,2-diamine
CID 63761550
N-[4-(aminomethyl)phenyl]-N-methylthieno[3,2-d]pyrimidin-4-amine
CID 55142521
N,N-dimethyl-2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]acetamide
CID 35790255
6-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 63730306
4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80777408
4-chloro-6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-5-carbaldehyde
CID 66334683
methyl 2-[(2-methoxy-2-oxoethyl)-thieno[3,2-d]pyrimidin-4-ylamino]acetate
CID 62956789
N-[1-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 62048196
N-[2-(4-methoxyphenyl)ethyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 46661845

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methylthieno[3,2-d]pyrimidin-4-amine (CID 35790116) is N-[(4-methoxyphenyl)methyl]-N-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-methylthieno[3,2-d]pyrimidin-4-amine is COc1ccc(CN(C)c2ncnc3ccsc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is DMKSAHQQOKCRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-18(9-11-3-5-12(19-2)6-4-11)15-14-13(7-8-20-14)16-10-17-15/h3-8,10H,9H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-methylthieno[3,2-d]pyrimidin-4-amine?
N-[(4-methoxyphenyl)methyl]-N-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 285.37 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 35790116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).