N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

C9H10N4O — CID 67251691

IUPACN,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cncnc2[nH]1
InChIInChI=1S/C9H10N4O/c1-13(2)9(14)7-3-6-4-10-5-11-8(6)12-7/h3-5H,1-2H3,(H,10,11,12)
InChIKeyJMQDHZLNGSNZEH-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.66
Rot. Bonds1

About N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 67251691) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID67251691
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC NameN,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cncnc2[nH]1
InChIInChI=1S/C9H10N4O/c1-13(2)9(14)7-3-6-4-10-5-11-8(6)12-7/h3-5H,1-2H3,(H,10,11,12)
InChIKeyJMQDHZLNGSNZEH-UHFFFAOYSA-N
XLogP0.66
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 67251691) is N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cncnc2[nH]1.
What is the InChIKey of N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is JMQDHZLNGSNZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-13(2)9(14)7-3-6-4-10-5-11-8(6)12-7/h3-5H,1-2H3,(H,10,11,12).
What are the key properties of N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide?
N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 190.21 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 67251691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).