N,N-dimethyl-3-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)propan-1-amine

C16H19N5 — CID 141257516

IUPACN,N-dimethyl-3-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)propan-1-amine
SMILESCN(C)CCCc1ccnc2[nH]cc(-c3ccncn3)c12
InChIInChI=1S/C16H19N5/c1-21(2)9-3-4-12-5-8-18-16-15(12)13(10-19-16)14-6-7-17-11-20-14/h5-8,10-11H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyKKRXGBMVPDLQKX-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.51
Rot. Bonds5

About N,N-dimethyl-3-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)propan-1-amine

N,N-dimethyl-3-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)propan-1-amine (PubChem CID 141257516) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N,N-dimethyl-3-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)propan-1-amine
PubChem CID141257516
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN,N-dimethyl-3-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)propan-1-amine
SMILESCN(C)CCCc1ccnc2[nH]cc(-c3ccncn3)c12
InChIInChI=1S/C16H19N5/c1-21(2)9-3-4-12-5-8-18-16-15(12)13(10-19-16)14-6-7-17-11-20-14/h5-8,10-11H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyKKRXGBMVPDLQKX-UHFFFAOYSA-N
XLogP2.51
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)propan-1-amine (CID 141257516) is N,N-dimethyl-3-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)propan-1-amine is CN(C)CCCc1ccnc2[nH]cc(-c3ccncn3)c12.
What is the InChIKey of N,N-dimethyl-3-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)propan-1-amine?
The InChIKey is KKRXGBMVPDLQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-21(2)9-3-4-12-5-8-18-16-15(12)13(10-19-16)14-6-7-17-11-20-14/h5-8,10-11H,3-4,9H2,1-2H3,(H,18,19).
What are the key properties of N,N-dimethyl-3-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)propan-1-amine?
N,N-dimethyl-3-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)propan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)propan-1-amine is sourced from PubChem (CID 141257516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).