2-cyclopropyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine

C17H20N4 — CID 136547341

IUPAC2-cyclopropyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
SMILESc1cncc(C2CCCN2Cc2cnc(C3CC3)nc2)c1
InChIInChI=1S/C17H20N4/c1-3-15(11-18-7-1)16-4-2-8-21(16)12-13-9-19-17(20-10-13)14-5-6-14/h1,3,7,9-11,14,16H,2,4-6,8,12H2
InChIKeyBSYYNHPEBGVQFB-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.09
Rot. Bonds4

About 2-cyclopropyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine

2-cyclopropyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine (PubChem CID 136547341) has the molecular formula C17H20N4 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-cyclopropyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
PubChem CID136547341
Molecular FormulaC17H20N4
Molecular Weight280.37 g/mol
Exact Mass280.17
IUPAC Name2-cyclopropyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
SMILESc1cncc(C2CCCN2Cc2cnc(C3CC3)nc2)c1
InChIInChI=1S/C17H20N4/c1-3-15(11-18-7-1)16-4-2-8-21(16)12-13-9-19-17(20-10-13)14-5-6-14/h1,3,7,9-11,14,16H,2,4-6,8,12H2
InChIKeyBSYYNHPEBGVQFB-UHFFFAOYSA-N
XLogP3.09
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 131932086
2-methylsulfanyl-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]pyrimidine
CID 99954193
3-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine
CID 146126331
7-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 162630693
3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine
CID 872932
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941
3-[(2S)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-2-yl]pyridine
CID 838789
3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine
CID 91294184
4-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 136543289
3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine
CID 59533117
6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154797524
3-[(2S)-1-[(4-nitrophenyl)methyl]piperidin-2-yl]pyridine
CID 40533269

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine?
The IUPAC name of 2-cyclopropyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine (CID 136547341) is 2-cyclopropyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine.
What is the SMILES notation for 2-cyclopropyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine?
The canonical SMILES for 2-cyclopropyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine is c1cncc(C2CCCN2Cc2cnc(C3CC3)nc2)c1.
What is the InChIKey of 2-cyclopropyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine?
The InChIKey is BSYYNHPEBGVQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-3-15(11-18-7-1)16-4-2-8-21(16)12-13-9-19-17(20-10-13)14-5-6-14/h1,3,7,9-11,14,16H,2,4-6,8,12H2.
What are the key properties of 2-cyclopropyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine?
2-cyclopropyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine has a molecular weight of 280.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine is sourced from PubChem (CID 136547341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).