4-[4-(azidomethyl)piperidin-1-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidine

C13H17N7 — CID 141207496

IUPAC4-[4-(azidomethyl)piperidin-1-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1c[nH]c2ncnc(N3CCC(CN=[N+]=[N-])CC3)c12
InChIInChI=1S/C13H17N7/c1-9-6-15-12-11(9)13(17-8-16-12)20-4-2-10(3-5-20)7-18-19-14/h6,8,10H,2-5,7H2,1H3,(H,15,16,17)
InChIKeyPMWJLXQNPYNOMG-UHFFFAOYSA-N
MW271.33 g/mol
LogP2.79
Rot. Bonds3

About 4-[4-(azidomethyl)piperidin-1-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidine

4-[4-(azidomethyl)piperidin-1-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 141207496) has the molecular formula C13H17N7 and a molecular weight of 271.33 g/mol. Its IUPAC name is 4-[4-(azidomethyl)piperidin-1-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(azidomethyl)piperidin-1-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID141207496
Molecular FormulaC13H17N7
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name4-[4-(azidomethyl)piperidin-1-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1c[nH]c2ncnc(N3CCC(CN=[N+]=[N-])CC3)c12
InChIInChI=1S/C13H17N7/c1-9-6-15-12-11(9)13(17-8-16-12)20-4-2-10(3-5-20)7-18-19-14/h6,8,10H,2-5,7H2,1H3,(H,15,16,17)
InChIKeyPMWJLXQNPYNOMG-UHFFFAOYSA-N
XLogP2.79
TPSA93.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 75114982
4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;dihydrochloride
CID 68727146
tert-butyl N-[1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]carbamate;1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 159257289
5-ethyl-4-[4-(methoxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 167867661
1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 137408213
4-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 141207495
(2R)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylic acid
CID 68727716
5-ethyl-4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 167907366
N'-cyano-N,N-bis(2-hydroxyethyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboximidamide
CID 74402505
3-(anilinomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine
CID 69186475
2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol
CID 167813431
3-[(4-chloroanilino)methyl]-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 59671658

Frequently Asked Questions

What is the IUPAC name of 4-[4-(azidomethyl)piperidin-1-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(azidomethyl)piperidin-1-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidine (CID 141207496) is 4-[4-(azidomethyl)piperidin-1-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(azidomethyl)piperidin-1-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(azidomethyl)piperidin-1-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidine is Cc1c[nH]c2ncnc(N3CCC(CN=[N+]=[N-])CC3)c12.
What is the InChIKey of 4-[4-(azidomethyl)piperidin-1-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is PMWJLXQNPYNOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7/c1-9-6-15-12-11(9)13(17-8-16-12)20-4-2-10(3-5-20)7-18-19-14/h6,8,10H,2-5,7H2,1H3,(H,15,16,17).
What are the key properties of 4-[4-(azidomethyl)piperidin-1-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidine?
4-[4-(azidomethyl)piperidin-1-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 271.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(azidomethyl)piperidin-1-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 141207496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).