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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-methoxymethyl]-6-morpholin-4-yl-pyridine-2-carbonitrile
CID 44286731
4-[4-(Oxolan-2-YL)-5-(pyrazin-2-YL)pyrimidin-2-YL]thiomorpholine
CID 46960853
1-{4-[(2R)-Oxolan-2-YL]-5-(pyrazin-2-YL)pyrimidin-2-YL}piperidine-4-carboxamide
CID 51590871
N,N-dimethyl-4-morpholin-2-yl-5-pyrimidin-5-ylpyrimidin-2-amine
CID 66509717
2-(5-Pyrimidin-5-yl-2-pyridinyl)morpholine
CID 73439790
4-[(2S)-oxolan-2-yl]-N-propan-2-yl-5-pyridin-4-ylpyrimidin-2-amine
CID 73945459
4-[(2S)-Oxolan-2-YL]-5-(pyrazin-2-YL)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 92415827
2-(4-Methylpiperazin-1-YL)-4-[(2R)-oxolan-2-YL]-5-(pyrazin-2-YL)pyrimidine
CID 95792345
N-cyclopropyl-4-[(2R)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-amine
CID 95857479
N-cyclopropyl-4-[(2S)-oxolan-2-yl]-5-(pyridin-4-yl)pyrimidin-2-amine
CID 95857481
(7R,8aS)-7-[(6-methyl-2-pyridinyl)methoxy]-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 97386270
(3aS,5S,7aS)-5-(pyridin-2-ylmethoxymethyl)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97387079

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).