1-[[2-(ethylamino)pyrimidin-5-yl]methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol

C22H27N5O — CID 56738133

IUPAC1-[[2-(ethylamino)pyrimidin-5-yl]methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol
SMILESCCNc1ncc(CN2CCC(O)(c3ccc4nc(C)ccc4c3)CC2)cn1
InChIInChI=1S/C22H27N5O/c1-3-23-21-24-13-17(14-25-21)15-27-10-8-22(28,9-11-27)19-6-7-20-18(12-19)5-4-16(2)26-20/h4-7,12-14,28H,3,8-11,15H2,1-2H3,(H,23,24,25)
InChIKeyABPOWHNZZRIBAU-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.25
Rot. Bonds5

About 1-[[2-(ethylamino)pyrimidin-5-yl]methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol

1-[[2-(ethylamino)pyrimidin-5-yl]methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol (PubChem CID 56738133) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-[[2-(ethylamino)pyrimidin-5-yl]methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-[[2-(ethylamino)pyrimidin-5-yl]methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol
PubChem CID56738133
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name1-[[2-(ethylamino)pyrimidin-5-yl]methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol
SMILESCCNc1ncc(CN2CCC(O)(c3ccc4nc(C)ccc4c3)CC2)cn1
InChIInChI=1S/C22H27N5O/c1-3-23-21-24-13-17(14-25-21)15-27-10-8-22(28,9-11-27)19-6-7-20-18(12-19)5-4-16(2)26-20/h4-7,12-14,28H,3,8-11,15H2,1-2H3,(H,23,24,25)
InChIKeyABPOWHNZZRIBAU-UHFFFAOYSA-N
XLogP3.25
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethylamino)pyrimidin-5-yl]methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol?
The IUPAC name of 1-[[2-(ethylamino)pyrimidin-5-yl]methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol (CID 56738133) is 1-[[2-(ethylamino)pyrimidin-5-yl]methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol.
What is the SMILES notation for 1-[[2-(ethylamino)pyrimidin-5-yl]methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol?
The canonical SMILES for 1-[[2-(ethylamino)pyrimidin-5-yl]methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol is CCNc1ncc(CN2CCC(O)(c3ccc4nc(C)ccc4c3)CC2)cn1.
What is the InChIKey of 1-[[2-(ethylamino)pyrimidin-5-yl]methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol?
The InChIKey is ABPOWHNZZRIBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-3-23-21-24-13-17(14-25-21)15-27-10-8-22(28,9-11-27)19-6-7-20-18(12-19)5-4-16(2)26-20/h4-7,12-14,28H,3,8-11,15H2,1-2H3,(H,23,24,25).
What are the key properties of 1-[[2-(ethylamino)pyrimidin-5-yl]methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol?
1-[[2-(ethylamino)pyrimidin-5-yl]methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol has a molecular weight of 377.49 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(ethylamino)pyrimidin-5-yl]methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol is sourced from PubChem (CID 56738133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).