5-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine

C18H23N5 — CID 95219231

IUPAC5-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
SMILESc1ccc([C@@H]2CCCN2Cc2cnc(N3CCCC3)nc2)nc1
InChIInChI=1S/C18H23N5/c1-2-8-19-16(6-1)17-7-5-11-23(17)14-15-12-20-18(21-13-15)22-9-3-4-10-22/h1-2,6,8,12-13,17H,3-5,7,9-11,14H2/t17-/m0/s1
InChIKeyAFLBTNNVDUVCNO-KRWDZBQOSA-N
MW309.42 g/mol
LogP2.81
Rot. Bonds4

About 5-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine

5-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine (PubChem CID 95219231) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 5-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name5-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
PubChem CID95219231
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name5-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
SMILESc1ccc([C@@H]2CCCN2Cc2cnc(N3CCCC3)nc2)nc1
InChIInChI=1S/C18H23N5/c1-2-8-19-16(6-1)17-7-5-11-23(17)14-15-12-20-18(21-13-15)22-9-3-4-10-22/h1-2,6,8,12-13,17H,3-5,7,9-11,14H2/t17-/m0/s1
InChIKeyAFLBTNNVDUVCNO-KRWDZBQOSA-N
XLogP2.81
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 5-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine (CID 95219231) is 5-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 5-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 5-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine is c1ccc([C@@H]2CCCN2Cc2cnc(N3CCCC3)nc2)nc1.
What is the InChIKey of 5-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is AFLBTNNVDUVCNO-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23N5/c1-2-8-19-16(6-1)17-7-5-11-23(17)14-15-12-20-18(21-13-15)22-9-3-4-10-22/h1-2,6,8,12-13,17H,3-5,7,9-11,14H2/t17-/m0/s1.
What are the key properties of 5-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine?
5-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 309.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 95219231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).