2-cyclopropyl-4-(oxan-4-yl)-6-piperazin-1-ylpyrimidine

C16H24N4O — CID 163346691

IUPAC2-cyclopropyl-4-(oxan-4-yl)-6-piperazin-1-ylpyrimidine
SMILESc1c(C2CCOCC2)nc(C2CC2)nc1N1CCNCC1
InChIInChI=1S/C16H24N4O/c1-2-13(1)16-18-14(12-3-9-21-10-4-12)11-15(19-16)20-7-5-17-6-8-20/h11-13,17H,1-10H2
InChIKeyVUSPOIQXOCXHFI-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.66
Rot. Bonds3

About 2-cyclopropyl-4-(oxan-4-yl)-6-piperazin-1-ylpyrimidine

2-cyclopropyl-4-(oxan-4-yl)-6-piperazin-1-ylpyrimidine (PubChem CID 163346691) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-cyclopropyl-4-(oxan-4-yl)-6-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-(oxan-4-yl)-6-piperazin-1-ylpyrimidine
PubChem CID163346691
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name2-cyclopropyl-4-(oxan-4-yl)-6-piperazin-1-ylpyrimidine
SMILESc1c(C2CCOCC2)nc(C2CC2)nc1N1CCNCC1
InChIInChI=1S/C16H24N4O/c1-2-13(1)16-18-14(12-3-9-21-10-4-12)11-15(19-16)20-7-5-17-6-8-20/h11-13,17H,1-10H2
InChIKeyVUSPOIQXOCXHFI-UHFFFAOYSA-N
XLogP1.66
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(oxan-4-yl)-6-piperazin-1-ylpyrimidine?
The IUPAC name of 2-cyclopropyl-4-(oxan-4-yl)-6-piperazin-1-ylpyrimidine (CID 163346691) is 2-cyclopropyl-4-(oxan-4-yl)-6-piperazin-1-ylpyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-(oxan-4-yl)-6-piperazin-1-ylpyrimidine?
The canonical SMILES for 2-cyclopropyl-4-(oxan-4-yl)-6-piperazin-1-ylpyrimidine is c1c(C2CCOCC2)nc(C2CC2)nc1N1CCNCC1.
What is the InChIKey of 2-cyclopropyl-4-(oxan-4-yl)-6-piperazin-1-ylpyrimidine?
The InChIKey is VUSPOIQXOCXHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-2-13(1)16-18-14(12-3-9-21-10-4-12)11-15(19-16)20-7-5-17-6-8-20/h11-13,17H,1-10H2.
What are the key properties of 2-cyclopropyl-4-(oxan-4-yl)-6-piperazin-1-ylpyrimidine?
2-cyclopropyl-4-(oxan-4-yl)-6-piperazin-1-ylpyrimidine has a molecular weight of 288.40 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(oxan-4-yl)-6-piperazin-1-ylpyrimidine is sourced from PubChem (CID 163346691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).