2,5,7,8-tetramethyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,4-dihydrochromen-6-ol

C22H30N4O2 — CID 10317770

IUPAC2,5,7,8-tetramethyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3ncccn3)CC1)O2
InChIInChI=1S/C22H30N4O2/c1-15-16(2)20-18(17(3)19(15)27)6-7-22(4,28-20)14-25-10-12-26(13-11-25)21-23-8-5-9-24-21/h5,8-9,27H,6-7,10-14H2,1-4H3
InChIKeyFEJVKMXFWQJHNA-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.01
Rot. Bonds3

About 2,5,7,8-tetramethyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,4-dihydrochromen-6-ol

2,5,7,8-tetramethyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,4-dihydrochromen-6-ol (PubChem CID 10317770) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2,5,7,8-tetramethyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name2,5,7,8-tetramethyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,4-dihydrochromen-6-ol
PubChem CID10317770
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name2,5,7,8-tetramethyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3ncccn3)CC1)O2
InChIInChI=1S/C22H30N4O2/c1-15-16(2)20-18(17(3)19(15)27)6-7-22(4,28-20)14-25-10-12-26(13-11-25)21-23-8-5-9-24-21/h5,8-9,27H,6-7,10-14H2,1-4H3
InChIKeyFEJVKMXFWQJHNA-UHFFFAOYSA-N
XLogP3.01
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5,7,8-tetramethyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,4-dihydrochromen-6-ol?
The IUPAC name of 2,5,7,8-tetramethyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,4-dihydrochromen-6-ol (CID 10317770) is 2,5,7,8-tetramethyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 2,5,7,8-tetramethyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,4-dihydrochromen-6-ol?
The canonical SMILES for 2,5,7,8-tetramethyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,4-dihydrochromen-6-ol is Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3ncccn3)CC1)O2.
What is the InChIKey of 2,5,7,8-tetramethyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,4-dihydrochromen-6-ol?
The InChIKey is FEJVKMXFWQJHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-15-16(2)20-18(17(3)19(15)27)6-7-22(4,28-20)14-25-10-12-26(13-11-25)21-23-8-5-9-24-21/h5,8-9,27H,6-7,10-14H2,1-4H3.
What are the key properties of 2,5,7,8-tetramethyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,4-dihydrochromen-6-ol?
2,5,7,8-tetramethyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,4-dihydrochromen-6-ol has a molecular weight of 382.51 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7,8-tetramethyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 10317770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).