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

C11H12N4O — CID 166244264

IUPACN-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESCC1(NC(=O)c2ncnc3[nH]ccc23)CC1
InChIInChI=1S/C11H12N4O/c1-11(3-4-11)15-10(16)8-7-2-5-12-9(7)14-6-13-8/h2,5-6H,3-4H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyBPNJYHKESWNVOI-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.24
Rot. Bonds2

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

N-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (PubChem CID 166244264) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is N-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
PubChem CID166244264
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC NameN-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESCC1(NC(=O)c2ncnc3[nH]ccc23)CC1
InChIInChI=1S/C11H12N4O/c1-11(3-4-11)15-10(16)8-7-2-5-12-9(7)14-6-13-8/h2,5-6H,3-4H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyBPNJYHKESWNVOI-UHFFFAOYSA-N
XLogP1.24
TPSA70.67 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 ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 143330703
4-(3-methylbut-1-en-2-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 11644053
N-(2-carbamoylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 166336925
N-[2-(2,2-dimethylpentanoylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 166365569
N-[[1-(1,2,4-thiadiazol-5-ylamino)cyclobutyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 166336931
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 166244380
(2,6-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone
CID 154744421
4-[(2E,4Z)-4-methylhexa-2,4-dien-3-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 145324859
2-chloroethyl 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate
CID 67204102
(2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butanoic acid
CID 122050876
(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate
CID 155959126
N-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 166365473

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The IUPAC name of N-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (CID 166244264) is N-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is CC1(NC(=O)c2ncnc3[nH]ccc23)CC1.
What is the InChIKey of N-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The InChIKey is BPNJYHKESWNVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-11(3-4-11)15-10(16)8-7-2-5-12-9(7)14-6-13-8/h2,5-6H,3-4H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of N-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
N-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 166244264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).