N-[4-(2,2-difluoropropylamino)cyclohexyl]-2-imidazol-1-ylthieno[3,2-d]pyrimidine-4-carboxamide

C19H22F2N6OS — CID 155598699

IUPACN-[4-(2,2-difluoropropylamino)cyclohexyl]-2-imidazol-1-ylthieno[3,2-d]pyrimidine-4-carboxamide
SMILESCC(F)(F)CNC1CCC(NC(=O)c2nc(-n3ccnc3)nc3ccsc23)CC1
InChIInChI=1S/C19H22F2N6OS/c1-19(20,21)10-23-12-2-4-13(5-3-12)24-17(28)15-16-14(6-9-29-16)25-18(26-15)27-8-7-22-11-27/h6-9,11-13,23H,2-5,10H2,1H3,(H,24,28)
InChIKeyOZRGIGOHMUIBOC-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.16
Rot. Bonds6

About N-[4-(2,2-difluoropropylamino)cyclohexyl]-2-imidazol-1-ylthieno[3,2-d]pyrimidine-4-carboxamide

N-[4-(2,2-difluoropropylamino)cyclohexyl]-2-imidazol-1-ylthieno[3,2-d]pyrimidine-4-carboxamide (PubChem CID 155598699) has the molecular formula C19H22F2N6OS and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[4-(2,2-difluoropropylamino)cyclohexyl]-2-imidazol-1-ylthieno[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,2-difluoropropylamino)cyclohexyl]-2-imidazol-1-ylthieno[3,2-d]pyrimidine-4-carboxamide
PubChem CID155598699
Molecular FormulaC19H22F2N6OS
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC NameN-[4-(2,2-difluoropropylamino)cyclohexyl]-2-imidazol-1-ylthieno[3,2-d]pyrimidine-4-carboxamide
SMILESCC(F)(F)CNC1CCC(NC(=O)c2nc(-n3ccnc3)nc3ccsc23)CC1
InChIInChI=1S/C19H22F2N6OS/c1-19(20,21)10-23-12-2-4-13(5-3-12)24-17(28)15-16-14(6-9-29-16)25-18(26-15)27-8-7-22-11-27/h6-9,11-13,23H,2-5,10H2,1H3,(H,24,28)
InChIKeyOZRGIGOHMUIBOC-UHFFFAOYSA-N
XLogP3.16
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-difluoropropylamino)cyclohexyl]-2-imidazol-1-ylthieno[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of N-[4-(2,2-difluoropropylamino)cyclohexyl]-2-imidazol-1-ylthieno[3,2-d]pyrimidine-4-carboxamide (CID 155598699) is N-[4-(2,2-difluoropropylamino)cyclohexyl]-2-imidazol-1-ylthieno[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(2,2-difluoropropylamino)cyclohexyl]-2-imidazol-1-ylthieno[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(2,2-difluoropropylamino)cyclohexyl]-2-imidazol-1-ylthieno[3,2-d]pyrimidine-4-carboxamide is CC(F)(F)CNC1CCC(NC(=O)c2nc(-n3ccnc3)nc3ccsc23)CC1.
What is the InChIKey of N-[4-(2,2-difluoropropylamino)cyclohexyl]-2-imidazol-1-ylthieno[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is OZRGIGOHMUIBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N6OS/c1-19(20,21)10-23-12-2-4-13(5-3-12)24-17(28)15-16-14(6-9-29-16)25-18(26-15)27-8-7-22-11-27/h6-9,11-13,23H,2-5,10H2,1H3,(H,24,28).
What are the key properties of N-[4-(2,2-difluoropropylamino)cyclohexyl]-2-imidazol-1-ylthieno[3,2-d]pyrimidine-4-carboxamide?
N-[4-(2,2-difluoropropylamino)cyclohexyl]-2-imidazol-1-ylthieno[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-difluoropropylamino)cyclohexyl]-2-imidazol-1-ylthieno[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 155598699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).