4-[4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-yl]benzamide

C19H18N6O — CID 110268253

IUPAC4-[4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2nccc(C3CCCN3c3ncccn3)n2)cc1
InChIInChI=1S/C19H18N6O/c20-17(26)13-4-6-14(7-5-13)18-21-11-8-15(24-18)16-3-1-12-25(16)19-22-9-2-10-23-19/h2,4-11,16H,1,3,12H2,(H2,20,26)
InChIKeyUDIXATWODAVLHA-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.37
Rot. Bonds4

About 4-[4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-yl]benzamide

4-[4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-yl]benzamide (PubChem CID 110268253) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-[4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-yl]benzamide.

Molecular Properties

Compound Name4-[4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-yl]benzamide
PubChem CID110268253
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name4-[4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2nccc(C3CCCN3c3ncccn3)n2)cc1
InChIInChI=1S/C19H18N6O/c20-17(26)13-4-6-14(7-5-13)18-21-11-8-15(24-18)16-3-1-12-25(16)19-22-9-2-10-23-19/h2,4-11,16H,1,3,12H2,(H2,20,26)
InChIKeyUDIXATWODAVLHA-UHFFFAOYSA-N
XLogP2.37
TPSA97.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]pyrimidin-2-yl]benzamide
CID 95816045
4-(4-cyclopentylpyrimidin-2-yl)benzoic acid
CID 116900125
2-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrimidine
CID 95298088
2-(1-pyrimidin-2-ylpyrrolidin-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 110267702
2-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
CID 125009220
2-[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]pyrimidine
CID 95838711
[2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 110253714
3-[2-methyl-6-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]propanoic acid
CID 110256794
2-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine
CID 110269330
(4-fluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093694
4-(1-pyrazin-2-ylpyrrolidin-2-yl)-2-pyridin-2-ylpyrimidine
CID 110253689
2-[2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine
CID 110267895

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-yl]benzamide?
The IUPAC name of 4-[4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-yl]benzamide (CID 110268253) is 4-[4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-yl]benzamide.
What is the SMILES notation for 4-[4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-yl]benzamide?
The canonical SMILES for 4-[4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-yl]benzamide is NC(=O)c1ccc(-c2nccc(C3CCCN3c3ncccn3)n2)cc1.
What is the InChIKey of 4-[4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-yl]benzamide?
The InChIKey is UDIXATWODAVLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c20-17(26)13-4-6-14(7-5-13)18-21-11-8-15(24-18)16-3-1-12-25(16)19-22-9-2-10-23-19/h2,4-11,16H,1,3,12H2,(H2,20,26).
What are the key properties of 4-[4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-yl]benzamide?
4-[4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-yl]benzamide has a molecular weight of 346.39 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-yl]benzamide is sourced from PubChem (CID 110268253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).