4-(1-pyrazin-2-ylpyrrolidin-2-yl)-2-pyridin-2-ylpyrimidine

C17H16N6 — CID 110253689

IUPAC4-(1-pyrazin-2-ylpyrrolidin-2-yl)-2-pyridin-2-ylpyrimidine
SMILESc1ccc(-c2nccc(C3CCCN3c3cnccn3)n2)nc1
InChIInChI=1S/C17H16N6/c1-2-7-19-14(4-1)17-21-8-6-13(22-17)15-5-3-11-23(15)16-12-18-9-10-20-16/h1-2,4,6-10,12,15H,3,5,11H2
InChIKeySIEYZJSBPMFJIT-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.67
Rot. Bonds3

About 4-(1-pyrazin-2-ylpyrrolidin-2-yl)-2-pyridin-2-ylpyrimidine

4-(1-pyrazin-2-ylpyrrolidin-2-yl)-2-pyridin-2-ylpyrimidine (PubChem CID 110253689) has the molecular formula C17H16N6 and a molecular weight of 304.36 g/mol. Its IUPAC name is 4-(1-pyrazin-2-ylpyrrolidin-2-yl)-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-(1-pyrazin-2-ylpyrrolidin-2-yl)-2-pyridin-2-ylpyrimidine
PubChem CID110253689
Molecular FormulaC17H16N6
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC Name4-(1-pyrazin-2-ylpyrrolidin-2-yl)-2-pyridin-2-ylpyrimidine
SMILESc1ccc(-c2nccc(C3CCCN3c3cnccn3)n2)nc1
InChIInChI=1S/C17H16N6/c1-2-7-19-14(4-1)17-21-8-6-13(22-17)15-5-3-11-23(15)16-12-18-9-10-20-16/h1-2,4,6-10,12,15H,3,5,11H2
InChIKeySIEYZJSBPMFJIT-UHFFFAOYSA-N
XLogP2.67
TPSA67.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-pyrazin-2-ylpyrrolidin-2-yl)pyrazine
CID 110269258
4-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-pyridin-2-ylpyrimidine
CID 95816040
4-(1-pyrazin-2-ylpyrrolidin-2-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 110270514
2-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrimidine
CID 95298088
2-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine
CID 110269330
N,2-dimethyl-6-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine
CID 124979116
N,N,2-trimethyl-6-(1-pyrazin-2-ylpyrrolidin-2-yl)pyridin-4-amine
CID 110254084
N,N,2-trimethyl-6-[(2R)-1-pyrazin-2-ylpyrrolidin-2-yl]pyridin-4-amine
CID 95816920
2-methyl-4-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136697556
[3-(pyridin-3-ylmethylamino)phenyl]-[(2R)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
CID 124956459
2-pyrazin-2-yl-4-pyridin-2-ylpyrimidine
CID 141116052
2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyrazine
CID 95264819

Frequently Asked Questions

What is the IUPAC name of 4-(1-pyrazin-2-ylpyrrolidin-2-yl)-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-(1-pyrazin-2-ylpyrrolidin-2-yl)-2-pyridin-2-ylpyrimidine (CID 110253689) is 4-(1-pyrazin-2-ylpyrrolidin-2-yl)-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-(1-pyrazin-2-ylpyrrolidin-2-yl)-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-(1-pyrazin-2-ylpyrrolidin-2-yl)-2-pyridin-2-ylpyrimidine is c1ccc(-c2nccc(C3CCCN3c3cnccn3)n2)nc1.
What is the InChIKey of 4-(1-pyrazin-2-ylpyrrolidin-2-yl)-2-pyridin-2-ylpyrimidine?
The InChIKey is SIEYZJSBPMFJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6/c1-2-7-19-14(4-1)17-21-8-6-13(22-17)15-5-3-11-23(15)16-12-18-9-10-20-16/h1-2,4,6-10,12,15H,3,5,11H2.
What are the key properties of 4-(1-pyrazin-2-ylpyrrolidin-2-yl)-2-pyridin-2-ylpyrimidine?
4-(1-pyrazin-2-ylpyrrolidin-2-yl)-2-pyridin-2-ylpyrimidine has a molecular weight of 304.36 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-pyrazin-2-ylpyrrolidin-2-yl)-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 110253689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).