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

C15H17N7OS — CID 123690965

IUPACN,N-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCc1nc(Nc2n[nH]c3c2CN(C(=O)N(C)C)C3)c2sccc2n1
InChIInChI=1S/C15H17N7OS/c1-8-16-10-4-5-24-12(10)14(17-8)18-13-9-6-22(15(23)21(2)3)7-11(9)19-20-13/h4-5H,6-7H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyVBKJEGHWUXDUBG-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.46
Rot. Bonds2

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

N,N-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide (PubChem CID 123690965) has the molecular formula C15H17N7OS and a molecular weight of 343.42 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
PubChem CID123690965
Molecular FormulaC15H17N7OS
Molecular Weight343.42 g/mol
Exact Mass343.12
IUPAC NameN,N-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCc1nc(Nc2n[nH]c3c2CN(C(=O)N(C)C)C3)c2sccc2n1
InChIInChI=1S/C15H17N7OS/c1-8-16-10-4-5-24-12(10)14(17-8)18-13-9-6-22(15(23)21(2)3)7-11(9)19-20-13/h4-5H,6-7H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyVBKJEGHWUXDUBG-UHFFFAOYSA-N
XLogP2.46
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.46
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-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The IUPAC name of N,N-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide (CID 123690965) is N,N-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The canonical SMILES for N,N-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide is Cc1nc(Nc2n[nH]c3c2CN(C(=O)N(C)C)C3)c2sccc2n1.
What is the InChIKey of N,N-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The InChIKey is VBKJEGHWUXDUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7OS/c1-8-16-10-4-5-24-12(10)14(17-8)18-13-9-6-22(15(23)21(2)3)7-11(9)19-20-13/h4-5H,6-7H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of N,N-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
N,N-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide has a molecular weight of 343.42 g/mol, XLogP of 2.46, 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-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide is sourced from PubChem (CID 123690965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).