N,6-dimethyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine

C16H17N3S — CID 63617005

IUPACN,6-dimethyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(Cc2ccc(C)cc2)nc2sc(C)cc12
InChIInChI=1S/C16H17N3S/c1-10-4-6-12(7-5-10)9-14-18-15(17-3)13-8-11(2)20-16(13)19-14/h4-8H,9H2,1-3H3,(H,17,18,19)
InChIKeyCWPLWYWOEMNMJA-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.94
Rot. Bonds3

About N,6-dimethyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine

N,6-dimethyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 63617005) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N,6-dimethyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID63617005
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN,6-dimethyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(Cc2ccc(C)cc2)nc2sc(C)cc12
InChIInChI=1S/C16H17N3S/c1-10-4-6-12(7-5-10)9-14-18-15(17-3)13-8-11(2)20-16(13)19-14/h4-8H,9H2,1-3H3,(H,17,18,19)
InChIKeyCWPLWYWOEMNMJA-UHFFFAOYSA-N
XLogP3.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63618225
6-ethyl-N-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 63615784
4-chloro-6-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine
CID 63614533
[2-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63619091
N,2,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 12820932
2-benzyl-N-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91965004
2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 66064348
2-benzyl-6-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91964996
4-[(2-benzyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
CID 91964940
2-benzyl-N-(2,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91964948
N-(1,3-benzodioxol-5-ylmethyl)-2-benzyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91965007
2-benzyl-N-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91964928

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 63617005) is N,6-dimethyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is CNc1nc(Cc2ccc(C)cc2)nc2sc(C)cc12.
What is the InChIKey of N,6-dimethyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CWPLWYWOEMNMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-10-4-6-12(7-5-10)9-14-18-15(17-3)13-8-11(2)20-16(13)19-14/h4-8H,9H2,1-3H3,(H,17,18,19).
What are the key properties of N,6-dimethyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
N,6-dimethyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 283.40 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63617005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).