N-methoxy-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanamine

C9H12N4O — CID 82656453

IUPACN-methoxy-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanamine
SMILESCONCc1c[nH]c2nc(C)ncc12
InChIInChI=1S/C9H12N4O/c1-6-10-5-8-7(4-12-14-2)3-11-9(8)13-6/h3,5,12H,4H2,1-2H3,(H,10,11,13)
InChIKeyGFZYVHRRTWMABC-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.92
Rot. Bonds3

About N-methoxy-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanamine

N-methoxy-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanamine (PubChem CID 82656453) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is N-methoxy-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanamine.

Molecular Properties

Compound NameN-methoxy-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanamine
PubChem CID82656453
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC NameN-methoxy-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanamine
SMILESCONCc1c[nH]c2nc(C)ncc12
InChIInChI=1S/C9H12N4O/c1-6-10-5-8-7(4-12-14-2)3-11-9(8)13-6/h3,5,12H,4H2,1-2H3,(H,10,11,13)
InChIKeyGFZYVHRRTWMABC-UHFFFAOYSA-N
XLogP0.92
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 123585773
2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 82652088
1-N-[(2-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-4-methoxybenzene-1,2-diamine
CID 70494011
2-methyl-8H-pyrido[2,3-d]pyrimidin-5-one
CID 130251266
6-amino-5-[(methoxyamino)methyl]-1H-pyrimidine-2-thione
CID 174421328
1-(2-methylpyrimidin-4-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66413703
1-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methoxymethanamine
CID 130835408
N-methoxy-1-(5-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-3-yl)methanamine
CID 82600698
1-(3-bromo-1H-indol-7-yl)-N-methoxymethanamine
CID 117390328
6-cyclopropyl-5-[(methoxyamino)methyl]-1H-pyrimidin-2-one
CID 82657252
1-(5-bromo-1H-imidazol-2-yl)-N-methoxymethanamine
CID 126983139
1-(2-chloro-5-methylfuran-3-yl)-N-methoxymethanamine
CID 82653691

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanamine?
The IUPAC name of N-methoxy-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanamine (CID 82656453) is N-methoxy-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanamine.
What is the SMILES notation for N-methoxy-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanamine?
The canonical SMILES for N-methoxy-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanamine is CONCc1c[nH]c2nc(C)ncc12.
What is the InChIKey of N-methoxy-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanamine?
The InChIKey is GFZYVHRRTWMABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-6-10-5-8-7(4-12-14-2)3-11-9(8)13-6/h3,5,12H,4H2,1-2H3,(H,10,11,13).
What are the key properties of N-methoxy-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanamine?
N-methoxy-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanamine has a molecular weight of 192.22 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanamine is sourced from PubChem (CID 82656453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).