5-[(2,6-dichlorophenyl)methoxy]-N-methyl-N-(morpholin-2-ylmethyl)pyrimidin-2-amine

C17H20Cl2N4O2 — CID 170608853

IUPAC5-[(2,6-dichlorophenyl)methoxy]-N-methyl-N-(morpholin-2-ylmethyl)pyrimidin-2-amine
SMILESCN(CC1CNCCO1)c1ncc(OCc2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C17H20Cl2N4O2/c1-23(10-13-7-20-5-6-24-13)17-21-8-12(9-22-17)25-11-14-15(18)3-2-4-16(14)19/h2-4,8-9,13,20H,5-7,10-11H2,1H3
InChIKeyQICBHTXVHIQKAG-UHFFFAOYSA-N
MW383.28 g/mol
LogP2.79
Rot. Bonds6

About 5-[(2,6-dichlorophenyl)methoxy]-N-methyl-N-(morpholin-2-ylmethyl)pyrimidin-2-amine

5-[(2,6-dichlorophenyl)methoxy]-N-methyl-N-(morpholin-2-ylmethyl)pyrimidin-2-amine (PubChem CID 170608853) has the molecular formula C17H20Cl2N4O2 and a molecular weight of 383.28 g/mol. Its IUPAC name is 5-[(2,6-dichlorophenyl)methoxy]-N-methyl-N-(morpholin-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(2,6-dichlorophenyl)methoxy]-N-methyl-N-(morpholin-2-ylmethyl)pyrimidin-2-amine
PubChem CID170608853
Molecular FormulaC17H20Cl2N4O2
Molecular Weight383.28 g/mol
Exact Mass382.10
IUPAC Name5-[(2,6-dichlorophenyl)methoxy]-N-methyl-N-(morpholin-2-ylmethyl)pyrimidin-2-amine
SMILESCN(CC1CNCCO1)c1ncc(OCc2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C17H20Cl2N4O2/c1-23(10-13-7-20-5-6-24-13)17-21-8-12(9-22-17)25-11-14-15(18)3-2-4-16(14)19/h2-4,8-9,13,20H,5-7,10-11H2,1H3
InChIKeyQICBHTXVHIQKAG-UHFFFAOYSA-N
XLogP2.79
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-(morpholin-2-ylmethyl)-5-propan-2-ylpyrimidin-2-amine
CID 116978150
N-methyl-N-(morpholin-2-ylmethyl)-5-propylpyrimidin-2-amine
CID 116978147
N-methyl-N-(morpholin-2-ylmethyl)quinazolin-2-amine
CID 114789529
3-chloro-2-[[methyl(morpholin-2-ylmethyl)amino]methyl]phenol
CID 113277030
(2S)-2-[(2,6-dichlorophenoxy)methyl]morpholine
CID 42048862
but-2-enedioic acid;2-[(2,6-dichlorophenyl)methoxymethyl]morpholine
CID 70455106
(2R)-2-[(2-chlorophenoxy)methyl]morpholine
CID 42048764
N,N-dimethyl-6-[methyl(morpholin-2-ylmethyl)amino]pyridine-3-sulfonamide
CID 103341176
N-methyl-N-(morpholin-2-ylmethyl)-2-nitropyridin-3-amine
CID 104540927
N-methyl-4-methylsulfanyl-N-(morpholin-2-ylmethyl)aniline
CID 115237571
N,2-dimethyl-N-(morpholin-2-ylmethyl)-6-nitroaniline
CID 115553948
4-methoxy-N,3,5-trimethyl-N-(morpholin-2-ylmethyl)aniline
CID 115237588

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dichlorophenyl)methoxy]-N-methyl-N-(morpholin-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-[(2,6-dichlorophenyl)methoxy]-N-methyl-N-(morpholin-2-ylmethyl)pyrimidin-2-amine (CID 170608853) is 5-[(2,6-dichlorophenyl)methoxy]-N-methyl-N-(morpholin-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[(2,6-dichlorophenyl)methoxy]-N-methyl-N-(morpholin-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-[(2,6-dichlorophenyl)methoxy]-N-methyl-N-(morpholin-2-ylmethyl)pyrimidin-2-amine is CN(CC1CNCCO1)c1ncc(OCc2c(Cl)cccc2Cl)cn1.
What is the InChIKey of 5-[(2,6-dichlorophenyl)methoxy]-N-methyl-N-(morpholin-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is QICBHTXVHIQKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O2/c1-23(10-13-7-20-5-6-24-13)17-21-8-12(9-22-17)25-11-14-15(18)3-2-4-16(14)19/h2-4,8-9,13,20H,5-7,10-11H2,1H3.
What are the key properties of 5-[(2,6-dichlorophenyl)methoxy]-N-methyl-N-(morpholin-2-ylmethyl)pyrimidin-2-amine?
5-[(2,6-dichlorophenyl)methoxy]-N-methyl-N-(morpholin-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 383.28 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dichlorophenyl)methoxy]-N-methyl-N-(morpholin-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 170608853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).