N-[1-(4-chlorophenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C16H16ClN3S — CID 60631569

IUPACN-[1-(4-chlorophenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NC(C)c3ccc(Cl)cc3)c2c1C
InChIInChI=1S/C16H16ClN3S/c1-9-11(3)21-16-14(9)15(18-8-19-16)20-10(2)12-4-6-13(17)7-5-12/h4-8,10H,1-3H3,(H,18,19,20)
InChIKeyVUZJKRNETMJXAO-UHFFFAOYSA-N
MW317.85 g/mol
LogP5.13
Rot. Bonds3

About N-[1-(4-chlorophenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

N-[1-(4-chlorophenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 60631569) has the molecular formula C16H16ClN3S and a molecular weight of 317.85 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID60631569
Molecular FormulaC16H16ClN3S
Molecular Weight317.85 g/mol
Exact Mass317.08
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NC(C)c3ccc(Cl)cc3)c2c1C
InChIInChI=1S/C16H16ClN3S/c1-9-11(3)21-16-14(9)15(18-8-19-16)20-10(2)12-4-6-13(17)7-5-12/h4-8,10H,1-3H3,(H,18,19,20)
InChIKeyVUZJKRNETMJXAO-UHFFFAOYSA-N
XLogP5.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.85
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 731283
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 26036412
6-bromo-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine
CID 15916595
4-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidine-4,6-diamine
CID 80802406
4-[(1S,2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-hydroxypropyl]phenol
CID 9110509
3-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)butane-1,3-diamine
CID 83180101
(2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 1076131
N-(1-cyclohexylethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 63540281
N-[1-(4-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine
CID 55853802
(2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol
CID 46213032
N-[4-chloro-2-(trifluoromethyl)phenyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 28695467
6-chloro-N-[1-(4-chlorophenyl)ethyl]-5-propan-2-ylpyrimidin-4-amine
CID 63728979

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 60631569) is N-[1-(4-chlorophenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(NC(C)c3ccc(Cl)cc3)c2c1C.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VUZJKRNETMJXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3S/c1-9-11(3)21-16-14(9)15(18-8-19-16)20-10(2)12-4-6-13(17)7-5-12/h4-8,10H,1-3H3,(H,18,19,20).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-[1-(4-chlorophenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 317.85 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 60631569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).