2-[4-(azetidin-3-yl)piperazin-1-yl]-4-propan-2-yloxypyrimidine

C14H23N5O — CID 115975429

IUPAC2-[4-(azetidin-3-yl)piperazin-1-yl]-4-propan-2-yloxypyrimidine
SMILESCC(C)Oc1ccnc(N2CCN(C3CNC3)CC2)n1
InChIInChI=1S/C14H23N5O/c1-11(2)20-13-3-4-16-14(17-13)19-7-5-18(6-8-19)12-9-15-10-12/h3-4,11-12,15H,5-10H2,1-2H3
InChIKeyKSJJCFCVIKBGDV-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.36
Rot. Bonds4

About 2-[4-(azetidin-3-yl)piperazin-1-yl]-4-propan-2-yloxypyrimidine

2-[4-(azetidin-3-yl)piperazin-1-yl]-4-propan-2-yloxypyrimidine (PubChem CID 115975429) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[4-(azetidin-3-yl)piperazin-1-yl]-4-propan-2-yloxypyrimidine.

Molecular Properties

Compound Name2-[4-(azetidin-3-yl)piperazin-1-yl]-4-propan-2-yloxypyrimidine
PubChem CID115975429
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-[4-(azetidin-3-yl)piperazin-1-yl]-4-propan-2-yloxypyrimidine
SMILESCC(C)Oc1ccnc(N2CCN(C3CNC3)CC2)n1
InChIInChI=1S/C14H23N5O/c1-11(2)20-13-3-4-16-14(17-13)19-7-5-18(6-8-19)12-9-15-10-12/h3-4,11-12,15H,5-10H2,1-2H3
InChIKeyKSJJCFCVIKBGDV-UHFFFAOYSA-N
XLogP0.36
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(azetidin-3-yl)piperazin-1-yl]-4-propan-2-yloxypyrimidine?
The IUPAC name of 2-[4-(azetidin-3-yl)piperazin-1-yl]-4-propan-2-yloxypyrimidine (CID 115975429) is 2-[4-(azetidin-3-yl)piperazin-1-yl]-4-propan-2-yloxypyrimidine.
What is the SMILES notation for 2-[4-(azetidin-3-yl)piperazin-1-yl]-4-propan-2-yloxypyrimidine?
The canonical SMILES for 2-[4-(azetidin-3-yl)piperazin-1-yl]-4-propan-2-yloxypyrimidine is CC(C)Oc1ccnc(N2CCN(C3CNC3)CC2)n1.
What is the InChIKey of 2-[4-(azetidin-3-yl)piperazin-1-yl]-4-propan-2-yloxypyrimidine?
The InChIKey is KSJJCFCVIKBGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-11(2)20-13-3-4-16-14(17-13)19-7-5-18(6-8-19)12-9-15-10-12/h3-4,11-12,15H,5-10H2,1-2H3.
What are the key properties of 2-[4-(azetidin-3-yl)piperazin-1-yl]-4-propan-2-yloxypyrimidine?
2-[4-(azetidin-3-yl)piperazin-1-yl]-4-propan-2-yloxypyrimidine has a molecular weight of 277.37 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azetidin-3-yl)piperazin-1-yl]-4-propan-2-yloxypyrimidine is sourced from PubChem (CID 115975429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).