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

C16H17N3S2 — CID 103334872

IUPACN,6-dimethyl-4-[(2-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(SCc2ccccc2C)c2cc(C)sc2n1
InChIInChI=1S/C16H17N3S2/c1-10-6-4-5-7-12(10)9-20-14-13-8-11(2)21-15(13)19-16(17-3)18-14/h4-8H,9H2,1-3H3,(H,17,18,19)
InChIKeyXAUXHDRBMQFYTO-UHFFFAOYSA-N
MW315.47 g/mol
LogP4.64
Rot. Bonds4

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

N,6-dimethyl-4-[(2-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103334872) has the molecular formula C16H17N3S2 and a molecular weight of 315.47 g/mol. Its IUPAC name is N,6-dimethyl-4-[(2-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN,6-dimethyl-4-[(2-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine
PubChem CID103334872
Molecular FormulaC16H17N3S2
Molecular Weight315.47 g/mol
Exact Mass315.09
IUPAC NameN,6-dimethyl-4-[(2-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(SCc2ccccc2C)c2cc(C)sc2n1
InChIInChI=1S/C16H17N3S2/c1-10-6-4-5-7-12(10)9-20-14-13-8-11(2)21-15(13)19-16(17-3)18-14/h4-8H,9H2,1-3H3,(H,17,18,19)
InChIKeyXAUXHDRBMQFYTO-UHFFFAOYSA-N
XLogP4.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(furan-2-ylmethylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103334041
4-benzylsulfanyl-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334260
4-(3-bromophenyl)sulfanyl-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103334827
4-[(2-bromophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103333313
4-[(5-chloro-2-pyridinyl)sulfanyl]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103335086
3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine
CID 102761495
4-(1H-imidazol-2-ylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 114001337
2-N,6-dimethyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324125
4-N-(2-fluoro-6-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330619
4-N-(2-bromo-3-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329297
4-methoxy-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103331394
4-N-butan-2-yl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324085

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-4-[(2-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N,6-dimethyl-4-[(2-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine (CID 103334872) is N,6-dimethyl-4-[(2-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N,6-dimethyl-4-[(2-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N,6-dimethyl-4-[(2-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine is CNc1nc(SCc2ccccc2C)c2cc(C)sc2n1.
What is the InChIKey of N,6-dimethyl-4-[(2-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is XAUXHDRBMQFYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S2/c1-10-6-4-5-7-12(10)9-20-14-13-8-11(2)21-15(13)19-16(17-3)18-14/h4-8H,9H2,1-3H3,(H,17,18,19).
What are the key properties of N,6-dimethyl-4-[(2-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine?
N,6-dimethyl-4-[(2-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 315.47 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-4-[(2-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103334872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).