N,N-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide

C14H15N7OS — CID 123146496

IUPACN,N-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCN(C)C(=O)N1Cc2[nH]nc(Nc3ncnc4sccc34)c2C1
InChIInChI=1S/C14H15N7OS/c1-20(2)14(22)21-5-9-10(6-21)18-19-12(9)17-11-8-3-4-23-13(8)16-7-15-11/h3-4,7H,5-6H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyFYWMNLANEIVURP-UHFFFAOYSA-N
MW329.39 g/mol
LogP2.16
Rot. Bonds2

About N,N-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide

N,N-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide (PubChem CID 123146496) has the molecular formula C14H15N7OS and a molecular weight of 329.39 g/mol. Its IUPAC name is N,N-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
PubChem CID123146496
Molecular FormulaC14H15N7OS
Molecular Weight329.39 g/mol
Exact Mass329.11
IUPAC NameN,N-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCN(C)C(=O)N1Cc2[nH]nc(Nc3ncnc4sccc34)c2C1
InChIInChI=1S/C14H15N7OS/c1-20(2)14(22)21-5-9-10(6-21)18-19-12(9)17-11-8-3-4-23-13(8)16-7-15-11/h3-4,7H,5-6H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyFYWMNLANEIVURP-UHFFFAOYSA-N
XLogP2.16
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The IUPAC name of N,N-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide (CID 123146496) is N,N-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The canonical SMILES for N,N-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide is CN(C)C(=O)N1Cc2[nH]nc(Nc3ncnc4sccc34)c2C1.
What is the InChIKey of N,N-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The InChIKey is FYWMNLANEIVURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7OS/c1-20(2)14(22)21-5-9-10(6-21)18-19-12(9)17-11-8-3-4-23-13(8)16-7-15-11/h3-4,7H,5-6H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of N,N-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
N,N-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide has a molecular weight of 329.39 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide is sourced from PubChem (CID 123146496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).