2-[5-(3-methoxyphenoxy)pyrimidin-2-yl]-N-methylethanamine

C14H17N3O2 — CID 115055192

IUPAC2-[5-(3-methoxyphenoxy)pyrimidin-2-yl]-N-methylethanamine
SMILESCNCCc1ncc(Oc2cccc(OC)c2)cn1
InChIInChI=1S/C14H17N3O2/c1-15-7-6-14-16-9-13(10-17-14)19-12-5-3-4-11(8-12)18-2/h3-5,8-10,15H,6-7H2,1-2H3
InChIKeySEROFRFTPSXNMC-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.04
Rot. Bonds6

About 2-[5-(3-methoxyphenoxy)pyrimidin-2-yl]-N-methylethanamine

2-[5-(3-methoxyphenoxy)pyrimidin-2-yl]-N-methylethanamine (PubChem CID 115055192) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[5-(3-methoxyphenoxy)pyrimidin-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(3-methoxyphenoxy)pyrimidin-2-yl]-N-methylethanamine
PubChem CID115055192
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[5-(3-methoxyphenoxy)pyrimidin-2-yl]-N-methylethanamine
SMILESCNCCc1ncc(Oc2cccc(OC)c2)cn1
InChIInChI=1S/C14H17N3O2/c1-15-7-6-14-16-9-13(10-17-14)19-12-5-3-4-11(8-12)18-2/h3-5,8-10,15H,6-7H2,1-2H3
InChIKeySEROFRFTPSXNMC-UHFFFAOYSA-N
XLogP2.04
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
(1R)-1-[5-(3-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939075
1-[5-(3-methoxyphenoxy)-2-pyridinyl]propan-1-amine
CID 112584748
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 104861065
1-[6-(3-methoxyphenoxy)pyridazin-3-yl]-N-methylmethanamine
CID 62297460
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
3-[2-(2-aminoethyl)pyrimidin-5-yl]oxyphenol
CID 115038185
6-(3-methoxyphenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 57314597
1-[4-(3-methoxyphenoxy)pyrazol-1-yl]-N-methylethanamine
CID 117125240
1-methoxy-3-(3-propylphenoxy)benzene
CID 153343611
2-(7-methoxynaphthalen-1-yl)-N-methylethanamine
CID 10104723

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methoxyphenoxy)pyrimidin-2-yl]-N-methylethanamine?
The IUPAC name of 2-[5-(3-methoxyphenoxy)pyrimidin-2-yl]-N-methylethanamine (CID 115055192) is 2-[5-(3-methoxyphenoxy)pyrimidin-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-(3-methoxyphenoxy)pyrimidin-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-(3-methoxyphenoxy)pyrimidin-2-yl]-N-methylethanamine is CNCCc1ncc(Oc2cccc(OC)c2)cn1.
What is the InChIKey of 2-[5-(3-methoxyphenoxy)pyrimidin-2-yl]-N-methylethanamine?
The InChIKey is SEROFRFTPSXNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-15-7-6-14-16-9-13(10-17-14)19-12-5-3-4-11(8-12)18-2/h3-5,8-10,15H,6-7H2,1-2H3.
What are the key properties of 2-[5-(3-methoxyphenoxy)pyrimidin-2-yl]-N-methylethanamine?
2-[5-(3-methoxyphenoxy)pyrimidin-2-yl]-N-methylethanamine has a molecular weight of 259.31 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methoxyphenoxy)pyrimidin-2-yl]-N-methylethanamine is sourced from PubChem (CID 115055192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).