N-butyl-N-ethyl-6-(2-methylphenoxy)pyrimidin-4-amine

C17H23N3O — CID 42872744

IUPACN-butyl-N-ethyl-6-(2-methylphenoxy)pyrimidin-4-amine
SMILESCCCCN(CC)c1cc(Oc2ccccc2C)ncn1
InChIInChI=1S/C17H23N3O/c1-4-6-11-20(5-2)16-12-17(19-13-18-16)21-15-10-8-7-9-14(15)3/h7-10,12-13H,4-6,11H2,1-3H3
InChIKeyUTBLAFVPXFRNBH-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.20
Rot. Bonds7

About N-butyl-N-ethyl-6-(2-methylphenoxy)pyrimidin-4-amine

N-butyl-N-ethyl-6-(2-methylphenoxy)pyrimidin-4-amine (PubChem CID 42872744) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-butyl-N-ethyl-6-(2-methylphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-N-ethyl-6-(2-methylphenoxy)pyrimidin-4-amine
PubChem CID42872744
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-butyl-N-ethyl-6-(2-methylphenoxy)pyrimidin-4-amine
SMILESCCCCN(CC)c1cc(Oc2ccccc2C)ncn1
InChIInChI=1S/C17H23N3O/c1-4-6-11-20(5-2)16-12-17(19-13-18-16)21-15-10-8-7-9-14(15)3/h7-10,12-13H,4-6,11H2,1-3H3
InChIKeyUTBLAFVPXFRNBH-UHFFFAOYSA-N
XLogP4.20
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-6-(2-chloro-5-methylphenoxy)-N-ethylpyrimidin-4-amine
CID 83286875
N-ethyl-6-(2-methoxy-4-methylphenoxy)-N-methylpyrimidin-4-amine
CID 91633842
2-[6-(2-methylphenoxy)pyrimidin-4-yl]acetic acid
CID 116820289
N'-(6-bromopyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995638
N-(2-chloroethyl)-6-ethoxy-N-ethylpyrimidin-4-amine
CID 66334187
N,N-dibutyl-6-fluoropyrimidin-4-amine
CID 115416258
N'-(6-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine
CID 66318967
6-N,6-N-diethyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112863456
4,5-dimethyl-6-(2-methylphenoxy)pyrimidine
CID 165051493
5-methyl-2-(2-methylphenoxy)pyridin-4-amine
CID 83266263
4-N,4-N-diethyl-6-N-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112863464
2-(6-ethylpyrimidin-4-yl)oxy-6-methylaniline
CID 61240121

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-6-(2-methylphenoxy)pyrimidin-4-amine?
The IUPAC name of N-butyl-N-ethyl-6-(2-methylphenoxy)pyrimidin-4-amine (CID 42872744) is N-butyl-N-ethyl-6-(2-methylphenoxy)pyrimidin-4-amine.
What is the SMILES notation for N-butyl-N-ethyl-6-(2-methylphenoxy)pyrimidin-4-amine?
The canonical SMILES for N-butyl-N-ethyl-6-(2-methylphenoxy)pyrimidin-4-amine is CCCCN(CC)c1cc(Oc2ccccc2C)ncn1.
What is the InChIKey of N-butyl-N-ethyl-6-(2-methylphenoxy)pyrimidin-4-amine?
The InChIKey is UTBLAFVPXFRNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-6-11-20(5-2)16-12-17(19-13-18-16)21-15-10-8-7-9-14(15)3/h7-10,12-13H,4-6,11H2,1-3H3.
What are the key properties of N-butyl-N-ethyl-6-(2-methylphenoxy)pyrimidin-4-amine?
N-butyl-N-ethyl-6-(2-methylphenoxy)pyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-6-(2-methylphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 42872744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).