4-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide

C11H12N4O — CID 172766668

IUPAC4-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide
SMILESCC1(c2nc(C(N)=O)nc3[nH]ccc23)CC1
InChIInChI=1S/C11H12N4O/c1-11(3-4-11)7-6-2-5-13-9(6)15-10(14-7)8(12)16/h2,5H,3-4H2,1H3,(H2,12,16)(H,13,14,15)
InChIKeyMKDSBXXNAWKAJJ-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.11
Rot. Bonds2

About 4-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide

4-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide (PubChem CID 172766668) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide
PubChem CID172766668
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name4-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide
SMILESCC1(c2nc(C(N)=O)nc3[nH]ccc23)CC1
InChIInChI=1S/C11H12N4O/c1-11(3-4-11)7-6-2-5-13-9(6)15-10(14-7)8(12)16/h2,5H,3-4H2,1H3,(H2,12,16)(H,13,14,15)
InChIKeyMKDSBXXNAWKAJJ-UHFFFAOYSA-N
XLogP1.11
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide?
The IUPAC name of 4-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide (CID 172766668) is 4-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 4-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for 4-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide is CC1(c2nc(C(N)=O)nc3[nH]ccc23)CC1.
What is the InChIKey of 4-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide?
The InChIKey is MKDSBXXNAWKAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-11(3-4-11)7-6-2-5-13-9(6)15-10(14-7)8(12)16/h2,5H,3-4H2,1H3,(H2,12,16)(H,13,14,15).
What are the key properties of 4-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide?
4-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 172766668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).