(4-fluoropiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone

C17H19FN6O — CID 139580368

IUPAC(4-fluoropiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NC2(c3cncnc3)CC2)nc1)N1CCC(F)CC1
InChIInChI=1S/C17H19FN6O/c18-14-1-5-24(6-2-14)15(25)12-7-21-16(22-8-12)23-17(3-4-17)13-9-19-11-20-10-13/h7-11,14H,1-6H2,(H,21,22,23)
InChIKeyPRJOPXFMAOOCRR-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.94
Rot. Bonds4

About (4-fluoropiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone

(4-fluoropiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone (PubChem CID 139580368) has the molecular formula C17H19FN6O and a molecular weight of 342.38 g/mol. Its IUPAC name is (4-fluoropiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name(4-fluoropiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
PubChem CID139580368
Molecular FormulaC17H19FN6O
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC Name(4-fluoropiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NC2(c3cncnc3)CC2)nc1)N1CCC(F)CC1
InChIInChI=1S/C17H19FN6O/c18-14-1-5-24(6-2-14)15(25)12-7-21-16(22-8-12)23-17(3-4-17)13-9-19-11-20-10-13/h7-11,14H,1-6H2,(H,21,22,23)
InChIKeyPRJOPXFMAOOCRR-UHFFFAOYSA-N
XLogP1.94
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-fluoropiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone with MolForge

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Related Compounds

(3R)-1-(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimidine-5-carbonyl)piperidine-3-carbonitrile
CID 139580363
US10906888, Example 188
CID 141746010
US10906888, Example 195
CID 134177541
[(3R)-3-methylsulfonylpiperidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
CID 139580343
US10906888, Example 190
CID 139580393
US10906888, Example 198
CID 141746035
US10906888, Example 86
CID 141746014
US10906888, Example 98
CID 139580301
US10906888, Example 35
CID 139580352
US10906888, Example 74
CID 139580374
US10906888, Example 89
CID 139580381
US10906888, Example 84
CID 139580394

Frequently Asked Questions

What is the IUPAC name of (4-fluoropiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
The IUPAC name of (4-fluoropiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone (CID 139580368) is (4-fluoropiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone.
What is the SMILES notation for (4-fluoropiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
The canonical SMILES for (4-fluoropiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone is O=C(c1cnc(NC2(c3cncnc3)CC2)nc1)N1CCC(F)CC1.
What is the InChIKey of (4-fluoropiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
The InChIKey is PRJOPXFMAOOCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O/c18-14-1-5-24(6-2-14)15(25)12-7-21-16(22-8-12)23-17(3-4-17)13-9-19-11-20-10-13/h7-11,14H,1-6H2,(H,21,22,23).
What are the key properties of (4-fluoropiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
(4-fluoropiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone has a molecular weight of 342.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoropiperidin-1-yl)-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 139580368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).