N-methyl-2-(6-methylpyrimidin-4-yl)oxyethanamine

C8H13N3O — CID 62348764

IUPACN-methyl-2-(6-methylpyrimidin-4-yl)oxyethanamine
SMILESCNCCOc1cc(C)ncn1
InChIInChI=1S/C8H13N3O/c1-7-5-8(11-6-10-7)12-4-3-9-2/h5-6,9H,3-4H2,1-2H3
InChIKeyMXKQWRAQMNTVSQ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.38
Rot. Bonds4

About N-methyl-2-(6-methylpyrimidin-4-yl)oxyethanamine

N-methyl-2-(6-methylpyrimidin-4-yl)oxyethanamine (PubChem CID 62348764) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-methyl-2-(6-methylpyrimidin-4-yl)oxyethanamine.

Molecular Properties

Compound NameN-methyl-2-(6-methylpyrimidin-4-yl)oxyethanamine
PubChem CID62348764
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-methyl-2-(6-methylpyrimidin-4-yl)oxyethanamine
SMILESCNCCOc1cc(C)ncn1
InChIInChI=1S/C8H13N3O/c1-7-5-8(11-6-10-7)12-4-3-9-2/h5-6,9H,3-4H2,1-2H3
InChIKeyMXKQWRAQMNTVSQ-UHFFFAOYSA-N
XLogP0.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(6-methylpyrimidin-4-yl) N-[2-(methylamino)ethyl]carbamate
CID 83820797
2-methyl-6-[2-(methylamino)ethoxy]pyridine-4-carbonitrile
CID 114770421
4-methyl-6-(trifluoromethoxy)pyrimidine
CID 167503979
4-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine
CID 142664562
butane;ethane;4-methoxy-6-methylpyrimidine
CID 143694997
N-methyl-2-[3-methyl-5-[2-(methylamino)ethoxy]phenoxy]ethanamine
CID 123710934
7-[2-(methylamino)ethoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66284106
2-methyl-1-(6-methylpyrimidin-4-yl)oxybutan-2-amine
CID 64571505
2-[(5-methoxy-2-pyridinyl)oxy]-N-methylethanamine
CID 106504848
1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]ethanamine
CID 16643300
4-chloro-6-[2-(methylamino)ethoxy]pyrimidin-2-amine
CID 122443307
6-[2-(methylamino)ethoxy]pyridine-3-carbonitrile
CID 62349619

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(6-methylpyrimidin-4-yl)oxyethanamine?
The IUPAC name of N-methyl-2-(6-methylpyrimidin-4-yl)oxyethanamine (CID 62348764) is N-methyl-2-(6-methylpyrimidin-4-yl)oxyethanamine.
What is the SMILES notation for N-methyl-2-(6-methylpyrimidin-4-yl)oxyethanamine?
The canonical SMILES for N-methyl-2-(6-methylpyrimidin-4-yl)oxyethanamine is CNCCOc1cc(C)ncn1.
What is the InChIKey of N-methyl-2-(6-methylpyrimidin-4-yl)oxyethanamine?
The InChIKey is MXKQWRAQMNTVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-7-5-8(11-6-10-7)12-4-3-9-2/h5-6,9H,3-4H2,1-2H3.
What are the key properties of N-methyl-2-(6-methylpyrimidin-4-yl)oxyethanamine?
N-methyl-2-(6-methylpyrimidin-4-yl)oxyethanamine has a molecular weight of 167.21 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6-methylpyrimidin-4-yl)oxyethanamine is sourced from PubChem (CID 62348764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).