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

C17H20N6O — CID 139580393

IUPACpiperidin-1-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NC2(c3cncnc3)CC2)nc1)N1CCCCC1
InChIInChI=1S/C17H20N6O/c24-15(23-6-2-1-3-7-23)13-8-20-16(21-9-13)22-17(4-5-17)14-10-18-12-19-11-14/h8-12H,1-7H2,(H,20,21,22)
InChIKeyVOUQAHAFVBDVGU-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.99
Rot. Bonds4

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

piperidin-1-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone (PubChem CID 139580393) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is piperidin-1-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
PubChem CID139580393
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Namepiperidin-1-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NC2(c3cncnc3)CC2)nc1)N1CCCCC1
InChIInChI=1S/C17H20N6O/c24-15(23-6-2-1-3-7-23)13-8-20-16(21-9-13)22-17(4-5-17)14-10-18-12-19-11-14/h8-12H,1-7H2,(H,20,21,22)
InChIKeyVOUQAHAFVBDVGU-UHFFFAOYSA-N
XLogP1.99
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
The IUPAC name of piperidin-1-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone (CID 139580393) is piperidin-1-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
The canonical SMILES for piperidin-1-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone is O=C(c1cnc(NC2(c3cncnc3)CC2)nc1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
The InChIKey is VOUQAHAFVBDVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c24-15(23-6-2-1-3-7-23)13-8-20-16(21-9-13)22-17(4-5-17)14-10-18-12-19-11-14/h8-12H,1-7H2,(H,20,21,22).
What are the key properties of piperidin-1-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
piperidin-1-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone has a molecular weight of 324.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 139580393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).