4-amino-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

C15H16N6OS — CID 167772909

IUPAC4-amino-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(N)c2c(C)c(C(=O)NC3CCn4cncc43)sc2n1
InChIInChI=1S/C15H16N6OS/c1-7-11-13(16)18-8(2)19-15(11)23-12(7)14(22)20-9-3-4-21-6-17-5-10(9)21/h5-6,9H,3-4H2,1-2H3,(H,20,22)(H2,16,18,19)
InChIKeyRYRXMPBVMCWJOA-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.96
Rot. Bonds2

About 4-amino-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

4-amino-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 167772909) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is 4-amino-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-amino-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID167772909
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name4-amino-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(N)c2c(C)c(C(=O)NC3CCn4cncc43)sc2n1
InChIInChI=1S/C15H16N6OS/c1-7-11-13(16)18-8(2)19-15(11)23-12(7)14(22)20-9-3-4-21-6-17-5-10(9)21/h5-6,9H,3-4H2,1-2H3,(H,20,22)(H2,16,18,19)
InChIKeyRYRXMPBVMCWJOA-UHFFFAOYSA-N
XLogP1.96
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-amino-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

(4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(oxazinan-2-yl)methanone
CID 146091471
4-amino-N-(4-ethyl-1,3-thiazol-2-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 154805547
4-amino-N-[(4-methoxy-2-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 154780957
N-cyclohexyl-2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4284171
4-amino-N-(1H-indazol-5-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 154797454
(4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 75448095
N-cyclopropyl-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 39084641
5-chloro-N-cyclobutyl-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 121479860
N-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 122414298
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56552121
methyl 4-(3-carbamoylpiperidin-1-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 47005276
methyl 4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 26472142

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-amino-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 167772909) is 4-amino-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-amino-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-amino-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(N)c2c(C)c(C(=O)NC3CCn4cncc43)sc2n1.
What is the InChIKey of 4-amino-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is RYRXMPBVMCWJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c1-7-11-13(16)18-8(2)19-15(11)23-12(7)14(22)20-9-3-4-21-6-17-5-10(9)21/h5-6,9H,3-4H2,1-2H3,(H,20,22)(H2,16,18,19).
What are the key properties of 4-amino-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
4-amino-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 167772909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).