2-chloro-N-(2,2-dimethylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine

C11H12ClN3S — CID 103321352

IUPAC2-chloro-N-(2,2-dimethylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC1(C)CC1Nc1nc(Cl)nc2sccc12
InChIInChI=1S/C11H12ClN3S/c1-11(2)5-7(11)13-8-6-3-4-16-9(6)15-10(12)14-8/h3-4,7H,5H2,1-2H3,(H,13,14,15)
InChIKeyFKYUSAGOJITLOZ-UHFFFAOYSA-N
MW253.76 g/mol
LogP3.56
Rot. Bonds2

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

2-chloro-N-(2,2-dimethylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103321352) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 2-chloro-N-(2,2-dimethylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,2-dimethylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103321352
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name2-chloro-N-(2,2-dimethylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC1(C)CC1Nc1nc(Cl)nc2sccc12
InChIInChI=1S/C11H12ClN3S/c1-11(2)5-7(11)13-8-6-3-4-16-9(6)15-10(12)14-8/h3-4,7H,5H2,1-2H3,(H,13,14,15)
InChIKeyFKYUSAGOJITLOZ-UHFFFAOYSA-N
XLogP3.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-dimethylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2,2-dimethylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine (CID 103321352) is 2-chloro-N-(2,2-dimethylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2,2-dimethylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2,2-dimethylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine is CC1(C)CC1Nc1nc(Cl)nc2sccc12.
What is the InChIKey of 2-chloro-N-(2,2-dimethylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FKYUSAGOJITLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-11(2)5-7(11)13-8-6-3-4-16-9(6)15-10(12)14-8/h3-4,7H,5H2,1-2H3,(H,13,14,15).
What are the key properties of 2-chloro-N-(2,2-dimethylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-(2,2-dimethylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 253.76 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-dimethylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103321352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).