N-methyl-1-[4-methyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethanamine

C14H23N3O — CID 80681424

IUPACN-methyl-1-[4-methyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethanamine
SMILESCNC(C)c1cnc(C2(C)CCCCO2)nc1C
InChIInChI=1S/C14H23N3O/c1-10(15-4)12-9-16-13(17-11(12)2)14(3)7-5-6-8-18-14/h9-10,15H,5-8H2,1-4H3
InChIKeyYUIUINDTUSNJTH-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.48
Rot. Bonds3

About N-methyl-1-[4-methyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethanamine

N-methyl-1-[4-methyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethanamine (PubChem CID 80681424) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethanamine
PubChem CID80681424
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-methyl-1-[4-methyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethanamine
SMILESCNC(C)c1cnc(C2(C)CCCCO2)nc1C
InChIInChI=1S/C14H23N3O/c1-10(15-4)12-9-16-13(17-11(12)2)14(3)7-5-6-8-18-14/h9-10,15H,5-8H2,1-4H3
InChIKeyYUIUINDTUSNJTH-UHFFFAOYSA-N
XLogP2.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[5-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]methanamine
CID 114245206
N-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 80690087
2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 80680873
5-iodo-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine
CID 80681024
N-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine
CID 80681720
2-(2-methyloxan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 80680939
5-fluoro-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine
CID 80680622
ethyl 2-(2-methyloxan-2-yl)-4-propan-2-ylpyrimidine-5-carboxylate
CID 102972984
4-(2-methyloxan-2-yl)-1,3,5-triazin-2-amine
CID 80681823
4-chloro-5-ethyl-6-methyl-2-(2-methyloxan-2-yl)pyrimidine
CID 80690391
2-(2-methyloxan-2-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 80681331
4-cyclopropyl-2-(2-methyloxan-2-yl)pyrimidine-5-carboxylic acid
CID 80681633

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethanamine (CID 80681424) is N-methyl-1-[4-methyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethanamine is CNC(C)c1cnc(C2(C)CCCCO2)nc1C.
What is the InChIKey of N-methyl-1-[4-methyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethanamine?
The InChIKey is YUIUINDTUSNJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(15-4)12-9-16-13(17-11(12)2)14(3)7-5-6-8-18-14/h9-10,15H,5-8H2,1-4H3.
What are the key properties of N-methyl-1-[4-methyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethanamine?
N-methyl-1-[4-methyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethanamine has a molecular weight of 249.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 80681424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).