2,6-dimethyl-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine

C16H17N3S — CID 45153512

IUPAC2,6-dimethyl-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NC(C)c2ccccc2)c2cc(C)sc2n1
InChIInChI=1S/C16H17N3S/c1-10-9-14-15(18-12(3)19-16(14)20-10)17-11(2)13-7-5-4-6-8-13/h4-9,11H,1-3H3,(H,17,18,19)
InChIKeyZVWVJSBQVWIDGW-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.48
Rot. Bonds3

About 2,6-dimethyl-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine

2,6-dimethyl-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45153512) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2,6-dimethyl-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45153512
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name2,6-dimethyl-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NC(C)c2ccccc2)c2cc(C)sc2n1
InChIInChI=1S/C16H17N3S/c1-10-9-14-15(18-12(3)19-16(14)20-10)17-11(2)13-7-5-4-6-8-13/h4-9,11H,1-3H3,(H,17,18,19)
InChIKeyZVWVJSBQVWIDGW-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320629
4-N-[1-(4-fluorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326091
4-N-[1-(4-bromophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326112
N,2,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 12820932
2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321032
6-methyl-4-N-(1-thiophen-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327402
8-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-h]quinazolin-2-amine
CID 147935865
3-methyl-2-[(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 91965550
6-bromo-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 95171151
3-methyl-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide
CID 133416689
N-[3-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide
CID 133409464
2,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91965651

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2,6-dimethyl-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine (CID 45153512) is 2,6-dimethyl-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2,6-dimethyl-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1nc(NC(C)c2ccccc2)c2cc(C)sc2n1.
What is the InChIKey of 2,6-dimethyl-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZVWVJSBQVWIDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-10-9-14-15(18-12(3)19-16(14)20-10)17-11(2)13-7-5-4-6-8-13/h4-9,11H,1-3H3,(H,17,18,19).
What are the key properties of 2,6-dimethyl-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
2,6-dimethyl-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 283.40 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45153512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).