3-pyridin-3-yl-4H-pyrimidin-2-amine

C9H10N4 — CID 69192067

IUPAC3-pyridin-3-yl-4H-pyrimidin-2-amine
SMILESNC1=NC=CCN1c1cccnc1
InChIInChI=1S/C9H10N4/c10-9-12-5-2-6-13(9)8-3-1-4-11-7-8/h1-5,7H,6H2,(H2,10,12)
InChIKeyUIHYPMYBQPXLCQ-UHFFFAOYSA-N
MW174.21 g/mol
LogP0.73
Rot. Bonds1

About 3-pyridin-3-yl-4H-pyrimidin-2-amine

3-pyridin-3-yl-4H-pyrimidin-2-amine (PubChem CID 69192067) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 3-pyridin-3-yl-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name3-pyridin-3-yl-4H-pyrimidin-2-amine
PubChem CID69192067
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name3-pyridin-3-yl-4H-pyrimidin-2-amine
SMILESNC1=NC=CCN1c1cccnc1
InChIInChI=1S/C9H10N4/c10-9-12-5-2-6-13(9)8-3-1-4-11-7-8/h1-5,7H,6H2,(H2,10,12)
InChIKeyUIHYPMYBQPXLCQ-UHFFFAOYSA-N
XLogP0.73
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-phenyl-4,5-dihydroimidazol-1-yl)pyridine
CID 71659870
1-pyridin-3-ylimidazol-4-amine
CID 66520794
1-pyridin-3-ylpyrrolidine-2,5-dione
CID 2737832
ethane;1-pyridin-3-ylpyrazol-3-amine
CID 145010559
(4-pyridin-3-ylpiperazin-1-yl)phosphane
CID 21025744
3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane
CID 175933789
7-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 90703154
8-pyridin-3-yl-8-azabicyclo[3.2.1]oct-2-ene
CID 102386273
4-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine
CID 90715593
1-pyridin-3-yl-3,6-dihydro-2H-pyridine-3-carbonitrile
CID 175920749
3-methyl-1-pyridin-3-yl-2H-imidazo[4,5-b]pyridine
CID 143141740
1-pyridin-3-ylpyrrolidin-2-amine
CID 54403911

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-4H-pyrimidin-2-amine?
The IUPAC name of 3-pyridin-3-yl-4H-pyrimidin-2-amine (CID 69192067) is 3-pyridin-3-yl-4H-pyrimidin-2-amine.
What is the SMILES notation for 3-pyridin-3-yl-4H-pyrimidin-2-amine?
The canonical SMILES for 3-pyridin-3-yl-4H-pyrimidin-2-amine is NC1=NC=CCN1c1cccnc1.
What is the InChIKey of 3-pyridin-3-yl-4H-pyrimidin-2-amine?
The InChIKey is UIHYPMYBQPXLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c10-9-12-5-2-6-13(9)8-3-1-4-11-7-8/h1-5,7H,6H2,(H2,10,12).
What are the key properties of 3-pyridin-3-yl-4H-pyrimidin-2-amine?
3-pyridin-3-yl-4H-pyrimidin-2-amine has a molecular weight of 174.21 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-4H-pyrimidin-2-amine is sourced from PubChem (CID 69192067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).