N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C7H8N4 — CID 12662864

IUPACN-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCNc1ncnc2[nH]ccc12
InChIInChI=1S/C7H8N4/c1-8-6-5-2-3-9-7(5)11-4-10-6/h2-4H,1H3,(H2,8,9,10,11)
InChIKeyAXWBJJJQRJBTMI-UHFFFAOYSA-N
MW148.17 g/mol
LogP1.00
Rot. Bonds1

About N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 12662864) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID12662864
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC NameN-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCNc1ncnc2[nH]ccc12
InChIInChI=1S/C7H8N4/c1-8-6-5-2-3-9-7(5)11-4-10-6/h2-4H,1H3,(H2,8,9,10,11)
InChIKeyAXWBJJJQRJBTMI-UHFFFAOYSA-N
XLogP1.00
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7H-Pyrrolo(2,3-d)pyrimidine, 4-chloro-
CID 5356682
N-(cis-3-(Methyl(7H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)cyclobutyl)-1-propanesulfonamide
CID 78323835
7-Deazaadenine
CID 5359620
2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine
CID 14116871
7H-Pyrrolo(2,3-d)pyrimidine
CID 261591
5H-Pyrrolo[2,3-b]pyrazine
CID 5370803
7-Methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 265827
6-Pyrrolidino-7-deazapurine
CID 4428602
4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 18008465
N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide
CID 122199230
4-chloro-7H-pyrrolo(2,3-d)pyrimidin-2-amine
CID 5324413
4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine
CID 5324414

Frequently Asked Questions

What is the IUPAC name of N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 12662864) is N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CNc1ncnc2[nH]ccc12.
What is the InChIKey of N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is AXWBJJJQRJBTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-8-6-5-2-3-9-7(5)11-4-10-6/h2-4H,1H3,(H2,8,9,10,11).
What are the key properties of N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 148.17 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 12662864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).