N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine

C21H29N5O — CID 117089157

IUPACN-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1cnc(N2CCOCC2)nc1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H29N5O/c1-17-15-22-21(26-11-13-27-14-12-26)24-20(17)23-19-7-9-25(10-8-19)16-18-5-3-2-4-6-18/h2-6,15,19H,7-14,16H2,1H3,(H,22,23,24)
InChIKeyOSKRSEKGYOKPPU-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.70
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine

N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 117089157) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID117089157
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1cnc(N2CCOCC2)nc1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H29N5O/c1-17-15-22-21(26-11-13-27-14-12-26)24-20(17)23-19-7-9-25(10-8-19)16-18-5-3-2-4-6-18/h2-6,15,19H,7-14,16H2,1H3,(H,22,23,24)
InChIKeyOSKRSEKGYOKPPU-UHFFFAOYSA-N
XLogP2.70
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine (CID 117089157) is N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine is Cc1cnc(N2CCOCC2)nc1NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is OSKRSEKGYOKPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-17-15-22-21(26-11-13-27-14-12-26)24-20(17)23-19-7-9-25(10-8-19)16-18-5-3-2-4-6-18/h2-6,15,19H,7-14,16H2,1H3,(H,22,23,24).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine?
N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 367.50 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 117089157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).