4-(oxolan-2-yl)-2-piperidin-1-yl-5-pyrazin-2-ylpyrimidine

C17H21N5O — CID 46953408

IUPAC4-(oxolan-2-yl)-2-piperidin-1-yl-5-pyrazin-2-ylpyrimidine
SMILESc1cnc(-c2cnc(N3CCCCC3)nc2C2CCCO2)cn1
InChIInChI=1S/C17H21N5O/c1-2-8-22(9-3-1)17-20-11-13(14-12-18-6-7-19-14)16(21-17)15-5-4-10-23-15/h6-7,11-12,15H,1-5,8-10H2
InChIKeyMQWRQTXSHAZISL-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.78
Rot. Bonds3

About 4-(oxolan-2-yl)-2-piperidin-1-yl-5-pyrazin-2-ylpyrimidine

4-(oxolan-2-yl)-2-piperidin-1-yl-5-pyrazin-2-ylpyrimidine (PubChem CID 46953408) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-(oxolan-2-yl)-2-piperidin-1-yl-5-pyrazin-2-ylpyrimidine.

Molecular Properties

Compound Name4-(oxolan-2-yl)-2-piperidin-1-yl-5-pyrazin-2-ylpyrimidine
PubChem CID46953408
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name4-(oxolan-2-yl)-2-piperidin-1-yl-5-pyrazin-2-ylpyrimidine
SMILESc1cnc(-c2cnc(N3CCCCC3)nc2C2CCCO2)cn1
InChIInChI=1S/C17H21N5O/c1-2-8-22(9-3-1)17-20-11-13(14-12-18-6-7-19-14)16(21-17)15-5-4-10-23-15/h6-7,11-12,15H,1-5,8-10H2
InChIKeyMQWRQTXSHAZISL-UHFFFAOYSA-N
XLogP2.78
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-yl)-2-piperidin-1-yl-5-pyrazin-2-ylpyrimidine?
The IUPAC name of 4-(oxolan-2-yl)-2-piperidin-1-yl-5-pyrazin-2-ylpyrimidine (CID 46953408) is 4-(oxolan-2-yl)-2-piperidin-1-yl-5-pyrazin-2-ylpyrimidine.
What is the SMILES notation for 4-(oxolan-2-yl)-2-piperidin-1-yl-5-pyrazin-2-ylpyrimidine?
The canonical SMILES for 4-(oxolan-2-yl)-2-piperidin-1-yl-5-pyrazin-2-ylpyrimidine is c1cnc(-c2cnc(N3CCCCC3)nc2C2CCCO2)cn1.
What is the InChIKey of 4-(oxolan-2-yl)-2-piperidin-1-yl-5-pyrazin-2-ylpyrimidine?
The InChIKey is MQWRQTXSHAZISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-2-8-22(9-3-1)17-20-11-13(14-12-18-6-7-19-14)16(21-17)15-5-4-10-23-15/h6-7,11-12,15H,1-5,8-10H2.
What are the key properties of 4-(oxolan-2-yl)-2-piperidin-1-yl-5-pyrazin-2-ylpyrimidine?
4-(oxolan-2-yl)-2-piperidin-1-yl-5-pyrazin-2-ylpyrimidine has a molecular weight of 311.39 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yl)-2-piperidin-1-yl-5-pyrazin-2-ylpyrimidine is sourced from PubChem (CID 46953408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).