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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Related Compounds

2-tert-butyl-4-methyl-5H-pyrrolo[3,2-d]pyrimidine
CID 147039934
5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155786251
4,6-dimethyl-5-propan-2-ylpyrimidine-2-carboxamide
CID 67815665
ethane;4-methyl-5H-pyrrolo[3,2-d]pyrimidine
CID 143935779
1H-pyrrolo[3,2-c]pyridine-7-carboxamide
CID 67034068
7-[(2-methylpiperidin-1-yl)methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
CID 175939650
4-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 172766668
7-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
CID 175929813
5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridine
CID 11030208
5-methoxy-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
CID 117273167
4-chloro-7-(trifluoromethyl)-1H-indole;4-propylquinazoline-2-carboxamide
CID 158606953
7-acetyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
CID 175939594

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).