2-chloro-6-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine

C14H18ClN3S — CID 103321977

IUPAC2-chloro-6-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCCC3C(C)C)nc(Cl)nc2s1
InChIInChI=1S/C14H18ClN3S/c1-8(2)11-5-4-6-18(11)12-10-7-9(3)19-13(10)17-14(15)16-12/h7-8,11H,4-6H2,1-3H3
InChIKeyHEUQEINBKUZETJ-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.28
Rot. Bonds2

About 2-chloro-6-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine

2-chloro-6-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 103321977) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-6-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine
PubChem CID103321977
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name2-chloro-6-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCCC3C(C)C)nc(Cl)nc2s1
InChIInChI=1S/C14H18ClN3S/c1-8(2)11-5-4-6-18(11)12-10-7-9(3)19-13(10)17-14(15)16-12/h7-8,11H,4-6H2,1-3H3
InChIKeyHEUQEINBKUZETJ-UHFFFAOYSA-N
XLogP4.28
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-6-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine (CID 103321977) is 2-chloro-6-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-6-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-6-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine is Cc1cc2c(N3CCCC3C(C)C)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-6-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is HEUQEINBKUZETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-8(2)11-5-4-6-18(11)12-10-7-9(3)19-13(10)17-14(15)16-12/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 2-chloro-6-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine?
2-chloro-6-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 295.84 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 103321977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).