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

C15H15ClN4S — CID 103320918

IUPAC2-chloro-N-ethyl-6-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCN(Cc1ccncc1)c1nc(Cl)nc2sc(C)cc12
InChIInChI=1S/C15H15ClN4S/c1-3-20(9-11-4-6-17-7-5-11)13-12-8-10(2)21-14(12)19-15(16)18-13/h4-8H,3,9H2,1-2H3
InChIKeySWKZTDSWTVRULE-UHFFFAOYSA-N
MW318.83 g/mol
LogP4.07
Rot. Bonds4

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

2-chloro-N-ethyl-6-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103320918) has the molecular formula C15H15ClN4S and a molecular weight of 318.83 g/mol. Its IUPAC name is 2-chloro-N-ethyl-6-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-ethyl-6-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103320918
Molecular FormulaC15H15ClN4S
Molecular Weight318.83 g/mol
Exact Mass318.07
IUPAC Name2-chloro-N-ethyl-6-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCN(Cc1ccncc1)c1nc(Cl)nc2sc(C)cc12
InChIInChI=1S/C15H15ClN4S/c1-3-20(9-11-4-6-17-7-5-11)13-12-8-10(2)21-14(12)19-15(16)18-13/h4-8H,3,9H2,1-2H3
InChIKeySWKZTDSWTVRULE-UHFFFAOYSA-N
XLogP4.07
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320677
2-chloro-N-ethyl-6-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320885
2-chloro-N-ethyl-N-(2-ethylbutyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320887
4-N,4-N-diethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323823
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
2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide
CID 103321134
2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107482198
6-chloro-2-N-ethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80808976
2-chloro-N-(2-ethoxyethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103322184
3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 103321662

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-6-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-ethyl-6-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 103320918) is 2-chloro-N-ethyl-6-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-ethyl-6-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-ethyl-6-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is CCN(Cc1ccncc1)c1nc(Cl)nc2sc(C)cc12.
What is the InChIKey of 2-chloro-N-ethyl-6-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SWKZTDSWTVRULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4S/c1-3-20(9-11-4-6-17-7-5-11)13-12-8-10(2)21-14(12)19-15(16)18-13/h4-8H,3,9H2,1-2H3.
What are the key properties of 2-chloro-N-ethyl-6-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-ethyl-6-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 318.83 g/mol, XLogP of 4.07, 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-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103320918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).