N-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine

C22H29N5O2 — CID 175650328

IUPACN-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESc1cc(NC2CCN(Cc3ccc4c(c3)CCO4)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H29N5O2/c1-2-20-18(6-12-29-20)15-17(1)16-26-8-4-19(5-9-26)24-21-3-7-23-22(25-21)27-10-13-28-14-11-27/h1-3,7,15,19H,4-6,8-14,16H2,(H,23,24,25)
InChIKeyRPNJRUOPZCNGAU-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.32
Rot. Bonds5

About N-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine

N-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 175650328) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID175650328
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESc1cc(NC2CCN(Cc3ccc4c(c3)CCO4)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H29N5O2/c1-2-20-18(6-12-29-20)15-17(1)16-26-8-4-19(5-9-26)24-21-3-7-23-22(25-21)27-10-13-28-14-11-27/h1-3,7,15,19H,4-6,8-14,16H2,(H,23,24,25)
InChIKeyRPNJRUOPZCNGAU-UHFFFAOYSA-N
XLogP2.32
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901667
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901713
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901044
N-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901047
N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175648844
4-[2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 165433606
2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 172899503
N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172902467
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901754
4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 112886405
2-(4-benzylpiperazin-1-yl)-N-cyclopentylpyrimidin-4-amine
CID 112884158
N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172900055

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine (CID 175650328) is N-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine is c1cc(NC2CCN(Cc3ccc4c(c3)CCO4)CC2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is RPNJRUOPZCNGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-2-20-18(6-12-29-20)15-17(1)16-26-8-4-19(5-9-26)24-21-3-7-23-22(25-21)27-10-13-28-14-11-27/h1-3,7,15,19H,4-6,8-14,16H2,(H,23,24,25).
What are the key properties of N-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
N-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 395.51 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 175650328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).