2-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrimidine

C19H18N4 — CID 95298088

IUPAC2-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrimidine
SMILESc1ccc(-c2nccc(N3CCC[C@H]3c3ccccn3)n2)cc1
InChIInChI=1S/C19H18N4/c1-2-7-15(8-3-1)19-21-13-11-18(22-19)23-14-6-10-17(23)16-9-4-5-12-20-16/h1-5,7-9,11-13,17H,6,10,14H2/t17-/m0/s1
InChIKeyNGIKJBOSPUOIFA-KRWDZBQOSA-N
MW302.38 g/mol
LogP3.88
Rot. Bonds3

About 2-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrimidine

2-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrimidine (PubChem CID 95298088) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrimidine
PubChem CID95298088
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name2-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrimidine
SMILESc1ccc(-c2nccc(N3CCC[C@H]3c3ccccn3)n2)cc1
InChIInChI=1S/C19H18N4/c1-2-7-15(8-3-1)19-21-13-11-18(22-19)23-14-6-10-17(23)16-9-4-5-12-20-16/h1-5,7-9,11-13,17H,6,10,14H2/t17-/m0/s1
InChIKeyNGIKJBOSPUOIFA-KRWDZBQOSA-N
XLogP3.88
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrimidine?
The IUPAC name of 2-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrimidine (CID 95298088) is 2-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 2-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 2-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrimidine is c1ccc(-c2nccc(N3CCC[C@H]3c3ccccn3)n2)cc1.
What is the InChIKey of 2-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrimidine?
The InChIKey is NGIKJBOSPUOIFA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H18N4/c1-2-7-15(8-3-1)19-21-13-11-18(22-19)23-14-6-10-17(23)16-9-4-5-12-20-16/h1-5,7-9,11-13,17H,6,10,14H2/t17-/m0/s1.
What are the key properties of 2-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrimidine?
2-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrimidine has a molecular weight of 302.38 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 95298088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).