N,N-dimethyl-2-[(propan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-5-amine

C12H19N5 — CID 79815352

IUPACN,N-dimethyl-2-[(propan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCC(C)NCc1nc2nc(N(C)C)ccc2[nH]1
InChIInChI=1S/C12H19N5/c1-8(2)13-7-10-14-9-5-6-11(17(3)4)16-12(9)15-10/h5-6,8,13H,7H2,1-4H3,(H,14,15,16)
InChIKeyIJRQMGUOMJQTEC-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.52
Rot. Bonds4

About N,N-dimethyl-2-[(propan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-5-amine

N,N-dimethyl-2-[(propan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79815352) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N,N-dimethyl-2-[(propan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(propan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79815352
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN,N-dimethyl-2-[(propan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCC(C)NCc1nc2nc(N(C)C)ccc2[nH]1
InChIInChI=1S/C12H19N5/c1-8(2)13-7-10-14-9-5-6-11(17(3)4)16-12(9)15-10/h5-6,8,13H,7H2,1-4H3,(H,14,15,16)
InChIKeyIJRQMGUOMJQTEC-UHFFFAOYSA-N
XLogP1.52
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(propan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of N,N-dimethyl-2-[(propan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-5-amine (CID 79815352) is N,N-dimethyl-2-[(propan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for N,N-dimethyl-2-[(propan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for N,N-dimethyl-2-[(propan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-5-amine is CC(C)NCc1nc2nc(N(C)C)ccc2[nH]1.
What is the InChIKey of N,N-dimethyl-2-[(propan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is IJRQMGUOMJQTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-8(2)13-7-10-14-9-5-6-11(17(3)4)16-12(9)15-10/h5-6,8,13H,7H2,1-4H3,(H,14,15,16).
What are the key properties of N,N-dimethyl-2-[(propan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-5-amine?
N,N-dimethyl-2-[(propan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 233.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(propan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79815352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).