2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine

C11H9N5 — CID 170687412

IUPAC2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine
SMILESNc1c(-c2ccncn2)[nH]c2cnccc12
InChIInChI=1S/C11H9N5/c12-10-7-1-3-13-5-9(7)16-11(10)8-2-4-14-6-15-8/h1-6,16H,12H2
InChIKeyDVXJUQVHTPCWDV-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.60
Rot. Bonds1

About 2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine

2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine (PubChem CID 170687412) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine.

Molecular Properties

Compound Name2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine
PubChem CID170687412
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Name2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine
SMILESNc1c(-c2ccncn2)[nH]c2cnccc12
InChIInChI=1S/C11H9N5/c12-10-7-1-3-13-5-9(7)16-11(10)8-2-4-14-6-15-8/h1-6,16H,12H2
InChIKeyDVXJUQVHTPCWDV-UHFFFAOYSA-N
XLogP1.60
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 158812485
CID 158812485
N-(3-propan-2-ylphenyl)-2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine
CID 170687414
1-pyrimidin-4-yl-9H-carbazole
CID 142468899
4-fluoro-5-pyrimidin-4-yl-1H-pyrazol-3-amine
CID 165492530
methyl 3-amino-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
CID 46942072
pyrrolo[3,2-d][1,3]diazepine
CID 70359339
5-pyrimidin-4-ylpyridin-2-amine
CID 130447007
2,9-phenanthroline-5,6-diamine
CID 118108253
4,10,11-triazatricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5,8-pentaene
CID 90787556
4-amino-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-1,7-naphthyridin-2-one
CID 12988792
10-thia-3,5,8,13-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11(16),12,14-heptaene
CID 144848494
ethane;5H-pyrido[4,3-b]indole
CID 176987523

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine?
The IUPAC name of 2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine (CID 170687412) is 2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine.
What is the SMILES notation for 2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine?
The canonical SMILES for 2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine is Nc1c(-c2ccncn2)[nH]c2cnccc12.
What is the InChIKey of 2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine?
The InChIKey is DVXJUQVHTPCWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c12-10-7-1-3-13-5-9(7)16-11(10)8-2-4-14-6-15-8/h1-6,16H,12H2.
What are the key properties of 2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine?
2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine has a molecular weight of 211.23 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine is sourced from PubChem (CID 170687412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).