N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine

C20H26FN5O — CID 172901667

IUPACN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESFc1ccc(CN2CCC(Nc3ccnc(N4CCOCC4)n3)CC2)cc1
InChIInChI=1S/C20H26FN5O/c21-17-3-1-16(2-4-17)15-25-9-6-18(7-10-25)23-19-5-8-22-20(24-19)26-11-13-27-14-12-26/h1-5,8,18H,6-7,9-15H2,(H,22,23,24)
InChIKeyGVBHGJGUOQCEDN-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.53
Rot. Bonds5

About N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 172901667) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID172901667
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESFc1ccc(CN2CCC(Nc3ccnc(N4CCOCC4)n3)CC2)cc1
InChIInChI=1S/C20H26FN5O/c21-17-3-1-16(2-4-17)15-25-9-6-18(7-10-25)23-19-5-8-22-20(24-19)26-11-13-27-14-12-26/h1-5,8,18H,6-7,9-15H2,(H,22,23,24)
InChIKeyGVBHGJGUOQCEDN-UHFFFAOYSA-N
XLogP2.53
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901713
N-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901047
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901044
N-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175650328
N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175648844
2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 172899503
2-(4-benzylpiperazin-1-yl)-N-cyclopentylpyrimidin-4-amine
CID 112884158
N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172902467
N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172891609
N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172900055
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901754
N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
CID 117078978

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine (CID 172901667) is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine is Fc1ccc(CN2CCC(Nc3ccnc(N4CCOCC4)n3)CC2)cc1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is GVBHGJGUOQCEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c21-17-3-1-16(2-4-17)15-25-9-6-18(7-10-25)23-19-5-8-22-20(24-19)26-11-13-27-14-12-26/h1-5,8,18H,6-7,9-15H2,(H,22,23,24).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 371.46 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 172901667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).