2-chloro-6-ethyl-N-(furan-2-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine

C14H14ClN3OS — CID 103320635

IUPAC2-chloro-6-ethyl-N-(furan-2-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N(C)Cc3ccco3)nc(Cl)nc2s1
InChIInChI=1S/C14H14ClN3OS/c1-3-10-7-11-12(16-14(15)17-13(11)20-10)18(2)8-9-5-4-6-19-9/h4-7H,3,8H2,1-2H3
InChIKeyUTNUXOXPZTXZLP-UHFFFAOYSA-N
MW307.81 g/mol
LogP4.14
Rot. Bonds4

About 2-chloro-6-ethyl-N-(furan-2-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine

2-chloro-6-ethyl-N-(furan-2-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 103320635) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N-(furan-2-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-ethyl-N-(furan-2-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID103320635
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC Name2-chloro-6-ethyl-N-(furan-2-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N(C)Cc3ccco3)nc(Cl)nc2s1
InChIInChI=1S/C14H14ClN3OS/c1-3-10-7-11-12(16-14(15)17-13(11)20-10)18(2)8-9-5-4-6-19-9/h4-7H,3,8H2,1-2H3
InChIKeyUTNUXOXPZTXZLP-UHFFFAOYSA-N
XLogP4.14
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-4-N-(furan-2-ylmethyl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324904
2-chloro-N-(furan-2-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320636
2-chloro-6-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321245
2-N-ethyl-4-N-(furan-2-ylmethyl)-4-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324905
2-chloro-6-ethyl-N-[1-(furan-2-yl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 103320972
N-(furan-2-ylmethyl)-2-hydrazinyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103332276
2-chloro-6-ethyl-N,N-bis(trideuteriomethyl)thieno[2,3-d]pyrimidin-4-amine
CID 169436107
2-chloro-6-ethyl-N-methyl-N-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321396
2-chloro-6-ethyl-N-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321377
N'-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 103321374
6-chloro-2-N-(furan-2-ylmethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 55125089
2-chloro-N,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320677

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-N-(furan-2-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-ethyl-N-(furan-2-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 103320635) is 2-chloro-6-ethyl-N-(furan-2-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-ethyl-N-(furan-2-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-ethyl-N-(furan-2-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(N(C)Cc3ccco3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-6-ethyl-N-(furan-2-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UTNUXOXPZTXZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c1-3-10-7-11-12(16-14(15)17-13(11)20-10)18(2)8-9-5-4-6-19-9/h4-7H,3,8H2,1-2H3.
What are the key properties of 2-chloro-6-ethyl-N-(furan-2-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
2-chloro-6-ethyl-N-(furan-2-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 307.81 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-N-(furan-2-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103320635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).