N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine

C20H26ClN5O — CID 172902467

IUPACN-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESClc1cccc(CN2CCCC(Nc3ccnc(N4CCOCC4)n3)C2)c1
InChIInChI=1S/C20H26ClN5O/c21-17-4-1-3-16(13-17)14-25-8-2-5-18(15-25)23-19-6-7-22-20(24-19)26-9-11-27-12-10-26/h1,3-4,6-7,13,18H,2,5,8-12,14-15H2,(H,22,23,24)
InChIKeyLOKWXPHIQADQRH-UHFFFAOYSA-N
MW387.92 g/mol
LogP3.04
Rot. Bonds5

About N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine

N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 172902467) has the molecular formula C20H26ClN5O and a molecular weight of 387.92 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID172902467
Molecular FormulaC20H26ClN5O
Molecular Weight387.92 g/mol
Exact Mass387.18
IUPAC NameN-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESClc1cccc(CN2CCCC(Nc3ccnc(N4CCOCC4)n3)C2)c1
InChIInChI=1S/C20H26ClN5O/c21-17-4-1-3-16(13-17)14-25-8-2-5-18(15-25)23-19-6-7-22-20(24-19)26-9-11-27-12-10-26/h1,3-4,6-7,13,18H,2,5,8-12,14-15H2,(H,22,23,24)
InChIKeyLOKWXPHIQADQRH-UHFFFAOYSA-N
XLogP3.04
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.92
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901044
N-[1-[(2-chloro-3-methoxyphenyl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172903863
2-morpholin-4-yl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
CID 175649604
N-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901047
N-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172903179
N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172902048
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
2-(4-benzylpiperazin-1-yl)-N-cyclopentylpyrimidin-4-amine
CID 112884158
N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175649260
2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172901310
N-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175650328

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine (CID 172902467) is N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine is Clc1cccc(CN2CCCC(Nc3ccnc(N4CCOCC4)n3)C2)c1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is LOKWXPHIQADQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5O/c21-17-4-1-3-16(13-17)14-25-8-2-5-18(15-25)23-19-6-7-22-20(24-19)26-9-11-27-12-10-26/h1,3-4,6-7,13,18H,2,5,8-12,14-15H2,(H,22,23,24).
What are the key properties of N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine?
N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 387.92 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 172902467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).