4-methyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboxamide

C8H8N4O — CID 67033604

IUPAC4-methyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboxamide
SMILESCc1nc(C(N)=O)nc2cc[nH]c12
InChIInChI=1S/C8H8N4O/c1-4-6-5(2-3-10-6)12-8(11-4)7(9)13/h2-3,10H,1H3,(H2,9,13)
InChIKeyUXEIEWBHTKTOIV-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.37
Rot. Bonds1

About 4-methyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboxamide

4-methyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboxamide (PubChem CID 67033604) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 4-methyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboxamide
PubChem CID67033604
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name4-methyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboxamide
SMILESCc1nc(C(N)=O)nc2cc[nH]c12
InChIInChI=1S/C8H8N4O/c1-4-6-5(2-3-10-6)12-8(11-4)7(9)13/h2-3,10H,1H3,(H2,9,13)
InChIKeyUXEIEWBHTKTOIV-UHFFFAOYSA-N
XLogP0.37
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboxamide?
The IUPAC name of 4-methyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboxamide (CID 67033604) is 4-methyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 4-methyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboxamide?
The canonical SMILES for 4-methyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboxamide is Cc1nc(C(N)=O)nc2cc[nH]c12.
What is the InChIKey of 4-methyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboxamide?
The InChIKey is UXEIEWBHTKTOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-4-6-5(2-3-10-6)12-8(11-4)7(9)13/h2-3,10H,1H3,(H2,9,13).
What are the key properties of 4-methyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboxamide?
4-methyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboxamide has a molecular weight of 176.18 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 67033604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).