2-chloro-N-ethyl-6-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C14H14ClN3S2 — CID 103320885

IUPAC2-chloro-N-ethyl-6-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCN(Cc1cccs1)c1nc(Cl)nc2sc(C)cc12
InChIInChI=1S/C14H14ClN3S2/c1-3-18(8-10-5-4-6-19-10)12-11-7-9(2)20-13(11)17-14(15)16-12/h4-7H,3,8H2,1-2H3
InChIKeyJFJSOHIUJKHIBT-UHFFFAOYSA-N
MW323.87 g/mol
LogP4.74
Rot. Bonds4

About 2-chloro-N-ethyl-6-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

2-chloro-N-ethyl-6-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103320885) has the molecular formula C14H14ClN3S2 and a molecular weight of 323.87 g/mol. Its IUPAC name is 2-chloro-N-ethyl-6-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-ethyl-6-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103320885
Molecular FormulaC14H14ClN3S2
Molecular Weight323.87 g/mol
Exact Mass323.03
IUPAC Name2-chloro-N-ethyl-6-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCN(Cc1cccs1)c1nc(Cl)nc2sc(C)cc12
InChIInChI=1S/C14H14ClN3S2/c1-3-18(8-10-5-4-6-19-10)12-11-7-9(2)20-13(11)17-14(15)16-12/h4-7H,3,8H2,1-2H3
InChIKeyJFJSOHIUJKHIBT-UHFFFAOYSA-N
XLogP4.74
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-ethyl-6-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320918
2-chloro-N-ethyl-N-(2-ethylbutyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320887
2-chloro-6-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320512
3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)isoquinolin-1-amine
CID 62284333
2-chloro-N,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320677
4-N,4-N-diethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323823
6-chloro-2-N,4-N-diethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80799671
2-N-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103322754
2-chloro-N-(furan-3-ylmethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103320853
2-benzyl-N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91965023
[5-bromo-2-[ethyl(thiophen-2-ylmethyl)amino]-3-pyridinyl]methanol
CID 62000735
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320935

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-6-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-ethyl-6-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 103320885) is 2-chloro-N-ethyl-6-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-ethyl-6-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-ethyl-6-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is CCN(Cc1cccs1)c1nc(Cl)nc2sc(C)cc12.
What is the InChIKey of 2-chloro-N-ethyl-6-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JFJSOHIUJKHIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3S2/c1-3-18(8-10-5-4-6-19-10)12-11-7-9(2)20-13(11)17-14(15)16-12/h4-7H,3,8H2,1-2H3.
What are the key properties of 2-chloro-N-ethyl-6-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-ethyl-6-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 323.87 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-6-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103320885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).