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

C12H16ClN3OS — CID 103322700

IUPAC2-chloro-6-ethyl-N-(2-methoxypropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCC(C)OC)nc(Cl)nc2s1
InChIInChI=1S/C12H16ClN3OS/c1-4-8-5-9-10(14-6-7(2)17-3)15-12(13)16-11(9)18-8/h5,7H,4,6H2,1-3H3,(H,14,15,16)
InChIKeyORHLROCQUPBJMN-UHFFFAOYSA-N
MW285.80 g/mol
LogP3.35
Rot. Bonds5

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

2-chloro-6-ethyl-N-(2-methoxypropyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103322700) has the molecular formula C12H16ClN3OS and a molecular weight of 285.80 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N-(2-methoxypropyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-ethyl-N-(2-methoxypropyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103322700
Molecular FormulaC12H16ClN3OS
Molecular Weight285.80 g/mol
Exact Mass285.07
IUPAC Name2-chloro-6-ethyl-N-(2-methoxypropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCC(C)OC)nc(Cl)nc2s1
InChIInChI=1S/C12H16ClN3OS/c1-4-8-5-9-10(14-6-7(2)17-3)15-12(13)16-11(9)18-8/h5,7H,4,6H2,1-3H3,(H,14,15,16)
InChIKeyORHLROCQUPBJMN-UHFFFAOYSA-N
XLogP3.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-4-N-(2-methoxypropyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330779
2-chloro-6-ethyl-N-(3-methyl-2-propan-2-ylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322726
2-chloro-6-ethyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066432
2-chloro-6-ethyl-N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322212
2-chloro-6-ethyl-N-(3-methylpentan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103320947
2-chloro-6-ethyl-N-[2-(3-methylbutoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321341
2-chloro-6-ethyl-N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 82066400
2-chloro-6-ethyl-N-(2,2,3,3-tetrafluoropropyl)thieno[2,3-d]pyrimidin-4-amine
CID 106293411
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 18460510
2-chloro-6-ethyl-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321723
2-chloro-6-ethyl-N-pent-4-yn-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 114156800
2-chloro-6-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 106214406

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-N-(2-methoxypropyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-ethyl-N-(2-methoxypropyl)thieno[2,3-d]pyrimidin-4-amine (CID 103322700) is 2-chloro-6-ethyl-N-(2-methoxypropyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-ethyl-N-(2-methoxypropyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-ethyl-N-(2-methoxypropyl)thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NCC(C)OC)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-6-ethyl-N-(2-methoxypropyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ORHLROCQUPBJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3OS/c1-4-8-5-9-10(14-6-7(2)17-3)15-12(13)16-11(9)18-8/h5,7H,4,6H2,1-3H3,(H,14,15,16).
What are the key properties of 2-chloro-6-ethyl-N-(2-methoxypropyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-6-ethyl-N-(2-methoxypropyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 285.80 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-N-(2-methoxypropyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103322700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).