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

C14H13ClN4S — CID 103320677

IUPAC2-chloro-N,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(N(C)Cc3ccncc3)nc(Cl)nc2s1
InChIInChI=1S/C14H13ClN4S/c1-9-7-11-12(17-14(15)18-13(11)20-9)19(2)8-10-3-5-16-6-4-10/h3-7H,8H2,1-2H3
InChIKeyOEORKKRMJIQDBO-UHFFFAOYSA-N
MW304.81 g/mol
LogP3.68
Rot. Bonds3

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

2-chloro-N,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103320677) has the molecular formula C14H13ClN4S and a molecular weight of 304.81 g/mol. Its IUPAC name is 2-chloro-N,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103320677
Molecular FormulaC14H13ClN4S
Molecular Weight304.81 g/mol
Exact Mass304.05
IUPAC Name2-chloro-N,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(N(C)Cc3ccncc3)nc(Cl)nc2s1
InChIInChI=1S/C14H13ClN4S/c1-9-7-11-12(17-14(15)18-13(11)20-9)19(2)8-10-3-5-16-6-4-10/h3-7H,8H2,1-2H3
InChIKeyOEORKKRMJIQDBO-UHFFFAOYSA-N
XLogP3.68
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.81
LogP ≤ 53.68
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-(furan-3-ylmethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103320853
2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 103320605
2-chloro-N-(2-ethoxyethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103322184
2-chloro-N-(cyclobutylmethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103321547
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-ethyl-6-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320885
2-chloro-N,6-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103322056
2-chloro-6-ethyl-N-(furan-2-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320635
2-chloro-N-(4,4-dimethylcyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103322127
2-chloro-6-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321245
2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide
CID 103321134

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 103320677) is 2-chloro-N,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(N(C)Cc3ccncc3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-N,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OEORKKRMJIQDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4S/c1-9-7-11-12(17-14(15)18-13(11)20-9)19(2)8-10-3-5-16-6-4-10/h3-7H,8H2,1-2H3.
What are the key properties of 2-chloro-N,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 304.81 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103320677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).