ethane;N-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide

C10H14N4O — CID 143330703

IUPACethane;N-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESCC.CNC(=O)c1ncnc2[nH]ccc12
InChIInChI=1S/C8H8N4O.C2H6/c1-9-8(13)6-5-2-3-10-7(5)12-4-11-6;1-2/h2-4H,1H3,(H,9,13)(H,10,11,12);1-2H3
InChIKeyPMPDNFFRJSKCBR-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.34
Rot. Bonds1

About ethane;N-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide

ethane;N-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (PubChem CID 143330703) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is ethane;N-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Nameethane;N-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
PubChem CID143330703
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Nameethane;N-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESCC.CNC(=O)c1ncnc2[nH]ccc12
InChIInChI=1S/C8H8N4O.C2H6/c1-9-8(13)6-5-2-3-10-7(5)12-4-11-6;1-2/h2-4H,1H3,(H,9,13)(H,10,11,12);1-2H3
InChIKeyPMPDNFFRJSKCBR-UHFFFAOYSA-N
XLogP1.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 166244264
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
4-(3-methylbut-1-en-2-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 11644053
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 166244380
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
N-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 166365473
(3R)-3-(4-fluorophenyl)-3-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonylamino)propanoic acid
CID 171389863
N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175758651
3-methoxy-4-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonylamino)methyl]benzoic acid
CID 155962841
(2,6-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone
CID 154744421

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The IUPAC name of ethane;N-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (CID 143330703) is ethane;N-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.
What is the SMILES notation for ethane;N-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The canonical SMILES for ethane;N-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is CC.CNC(=O)c1ncnc2[nH]ccc12.
What is the InChIKey of ethane;N-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The InChIKey is PMPDNFFRJSKCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O.C2H6/c1-9-8(13)6-5-2-3-10-7(5)12-4-11-6;1-2/h2-4H,1H3,(H,9,13)(H,10,11,12);1-2H3.
What are the key properties of ethane;N-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
ethane;N-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide has a molecular weight of 206.25 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 143330703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).