2-(2-piperazin-1-ylpyrimidin-5-yl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane]

C23H26N6O2 — CID 151936519

IUPAC2-(2-piperazin-1-ylpyrimidin-5-yl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane]
SMILESC1=NC2=C(CN1c1cnc(N3CCNCC3)nc1)c1ccccc1OC21CCOCC1
InChIInChI=1S/C23H26N6O2/c1-2-4-20-18(3-1)19-15-29(16-27-21(19)23(31-20)5-11-30-12-6-23)17-13-25-22(26-14-17)28-9-7-24-8-10-28/h1-4,13-14,16,24H,5-12,15H2
InChIKeySZXDQXCMIZCZSL-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.09
Rot. Bonds2

About 2-(2-piperazin-1-ylpyrimidin-5-yl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane]

2-(2-piperazin-1-ylpyrimidin-5-yl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane] (PubChem CID 151936519) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-(2-piperazin-1-ylpyrimidin-5-yl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane].

Molecular Properties

Compound Name2-(2-piperazin-1-ylpyrimidin-5-yl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane]
PubChem CID151936519
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name2-(2-piperazin-1-ylpyrimidin-5-yl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane]
SMILESC1=NC2=C(CN1c1cnc(N3CCNCC3)nc1)c1ccccc1OC21CCOCC1
InChIInChI=1S/C23H26N6O2/c1-2-4-20-18(3-1)19-15-29(16-27-21(19)23(31-20)5-11-30-12-6-23)17-13-25-22(26-14-17)28-9-7-24-8-10-28/h1-4,13-14,16,24H,5-12,15H2
InChIKeySZXDQXCMIZCZSL-UHFFFAOYSA-N
XLogP2.09
TPSA75.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperazin-1-ylpyrimidin-5-yl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane]?
The IUPAC name of 2-(2-piperazin-1-ylpyrimidin-5-yl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane] (CID 151936519) is 2-(2-piperazin-1-ylpyrimidin-5-yl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane].
What is the SMILES notation for 2-(2-piperazin-1-ylpyrimidin-5-yl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane]?
The canonical SMILES for 2-(2-piperazin-1-ylpyrimidin-5-yl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane] is C1=NC2=C(CN1c1cnc(N3CCNCC3)nc1)c1ccccc1OC21CCOCC1.
What is the InChIKey of 2-(2-piperazin-1-ylpyrimidin-5-yl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane]?
The InChIKey is SZXDQXCMIZCZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-2-4-20-18(3-1)19-15-29(16-27-21(19)23(31-20)5-11-30-12-6-23)17-13-25-22(26-14-17)28-9-7-24-8-10-28/h1-4,13-14,16,24H,5-12,15H2.
What are the key properties of 2-(2-piperazin-1-ylpyrimidin-5-yl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane]?
2-(2-piperazin-1-ylpyrimidin-5-yl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane] has a molecular weight of 418.50 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperazin-1-ylpyrimidin-5-yl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane] is sourced from PubChem (CID 151936519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).