N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-5-amine

C12H11N5 — CID 107587617

IUPACN-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-5-amine
SMILESc1cnc2[nH]cc(CNc3cncnc3)c2c1
InChIInChI=1S/C12H11N5/c1-2-11-9(5-17-12(11)15-3-1)4-16-10-6-13-8-14-7-10/h1-3,5-8,16H,4H2,(H,15,17)
InChIKeyVLVHPUFPTNUHKP-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.97
Rot. Bonds3

About N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-5-amine

N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-5-amine (PubChem CID 107587617) has the molecular formula C12H11N5 and a molecular weight of 225.26 g/mol. Its IUPAC name is N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-5-amine.

Molecular Properties

Compound NameN-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-5-amine
PubChem CID107587617
Molecular FormulaC12H11N5
Molecular Weight225.26 g/mol
Exact Mass225.10
IUPAC NameN-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-5-amine
SMILESc1cnc2[nH]cc(CNc3cncnc3)c2c1
InChIInChI=1S/C12H11N5/c1-2-11-9(5-17-12(11)15-3-1)4-16-10-6-13-8-14-7-10/h1-3,5-8,16H,4H2,(H,15,17)
InChIKeyVLVHPUFPTNUHKP-UHFFFAOYSA-N
XLogP1.97
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-3-amine
CID 66415295
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
2,6-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66416280
2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66414248
3,5-dichloro-4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 107572383
N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-benzodioxol-5-amine
CID 66416394
2-pyridin-3-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66416226
3-(difluoromethoxy)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66416795
3-N,3-N,4-trimethyl-1-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)benzene-1,3-diamine
CID 115377244
2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxylic acid
CID 69265593
2,5-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66415020
4-chloro-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66416780

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-5-amine?
The IUPAC name of N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-5-amine (CID 107587617) is N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-5-amine.
What is the SMILES notation for N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-5-amine?
The canonical SMILES for N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-5-amine is c1cnc2[nH]cc(CNc3cncnc3)c2c1.
What is the InChIKey of N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-5-amine?
The InChIKey is VLVHPUFPTNUHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-2-11-9(5-17-12(11)15-3-1)4-16-10-6-13-8-14-7-10/h1-3,5-8,16H,4H2,(H,15,17).
What are the key properties of N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-5-amine?
N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-5-amine has a molecular weight of 225.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-5-amine is sourced from PubChem (CID 107587617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).