N-[(7R)-5-butyl-5-azaspiro[2.4]heptan-7-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C17H25N5 — CID 118911483

IUPACN-[(7R)-5-butyl-5-azaspiro[2.4]heptan-7-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCCCN1C[C@H](N(C)c2ncnc3[nH]ccc23)C2(CC2)C1
InChIInChI=1S/C17H25N5/c1-3-4-9-22-10-14(17(11-22)6-7-17)21(2)16-13-5-8-18-15(13)19-12-20-16/h5,8,12,14H,3-4,6-7,9-11H2,1-2H3,(H,18,19,20)/t14-/m0/s1
InChIKeyGNHJYSKWNQBQKV-AWEZNQCLSA-N
MW299.42 g/mol
LogP2.66
Rot. Bonds5

About N-[(7R)-5-butyl-5-azaspiro[2.4]heptan-7-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[(7R)-5-butyl-5-azaspiro[2.4]heptan-7-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 118911483) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[(7R)-5-butyl-5-azaspiro[2.4]heptan-7-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(7R)-5-butyl-5-azaspiro[2.4]heptan-7-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID118911483
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC NameN-[(7R)-5-butyl-5-azaspiro[2.4]heptan-7-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCCCN1C[C@H](N(C)c2ncnc3[nH]ccc23)C2(CC2)C1
InChIInChI=1S/C17H25N5/c1-3-4-9-22-10-14(17(11-22)6-7-17)21(2)16-13-5-8-18-15(13)19-12-20-16/h5,8,12,14H,3-4,6-7,9-11H2,1-2H3,(H,18,19,20)/t14-/m0/s1
InChIKeyGNHJYSKWNQBQKV-AWEZNQCLSA-N
XLogP2.66
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(7R)-5-butyl-5-azaspiro[2.4]heptan-7-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(7R)-5-butyl-5-azaspiro[2.4]heptan-7-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 118911483) is N-[(7R)-5-butyl-5-azaspiro[2.4]heptan-7-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(7R)-5-butyl-5-azaspiro[2.4]heptan-7-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(7R)-5-butyl-5-azaspiro[2.4]heptan-7-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCCCN1C[C@H](N(C)c2ncnc3[nH]ccc23)C2(CC2)C1.
What is the InChIKey of N-[(7R)-5-butyl-5-azaspiro[2.4]heptan-7-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is GNHJYSKWNQBQKV-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N5/c1-3-4-9-22-10-14(17(11-22)6-7-17)21(2)16-13-5-8-18-15(13)19-12-20-16/h5,8,12,14H,3-4,6-7,9-11H2,1-2H3,(H,18,19,20)/t14-/m0/s1.
What are the key properties of N-[(7R)-5-butyl-5-azaspiro[2.4]heptan-7-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[(7R)-5-butyl-5-azaspiro[2.4]heptan-7-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 299.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7R)-5-butyl-5-azaspiro[2.4]heptan-7-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 118911483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).