2-cyclopropyl-6-[3-(dimethylamino)phenoxy]-N-methylpyrimidin-4-amine

C16H20N4O — CID 80966422

IUPAC2-cyclopropyl-6-[3-(dimethylamino)phenoxy]-N-methylpyrimidin-4-amine
SMILESCNc1cc(Oc2cccc(N(C)C)c2)nc(C2CC2)n1
InChIInChI=1S/C16H20N4O/c1-17-14-10-15(19-16(18-14)11-7-8-11)21-13-6-4-5-12(9-13)20(2)3/h4-6,9-11H,7-8H2,1-3H3,(H,17,18,19)
InChIKeyWZFKHEIJJYZYAG-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.25
Rot. Bonds5

About 2-cyclopropyl-6-[3-(dimethylamino)phenoxy]-N-methylpyrimidin-4-amine

2-cyclopropyl-6-[3-(dimethylamino)phenoxy]-N-methylpyrimidin-4-amine (PubChem CID 80966422) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-cyclopropyl-6-[3-(dimethylamino)phenoxy]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-[3-(dimethylamino)phenoxy]-N-methylpyrimidin-4-amine
PubChem CID80966422
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-cyclopropyl-6-[3-(dimethylamino)phenoxy]-N-methylpyrimidin-4-amine
SMILESCNc1cc(Oc2cccc(N(C)C)c2)nc(C2CC2)n1
InChIInChI=1S/C16H20N4O/c1-17-14-10-15(19-16(18-14)11-7-8-11)21-13-6-4-5-12(9-13)20(2)3/h4-6,9-11H,7-8H2,1-3H3,(H,17,18,19)
InChIKeyWZFKHEIJJYZYAG-UHFFFAOYSA-N
XLogP3.25
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80965882
2-cyclopropyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine
CID 80965780
6-(4-bromophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 80965887
2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-methylpyrimidin-4-amine
CID 80966664
[2-cyclopropyl-6-(3-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 80969262
6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 116691215
6-[(5-chloro-3-pyridinyl)oxy]-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 80963096
2-cyclopropyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80957882
6-(3-bromophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965597
2-cyclopropyl-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine
CID 80957766
3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylaniline
CID 80920296
6-[3-(dimethylamino)phenoxy]-N,2-diethylpyrimidin-4-amine
CID 80939069

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[3-(dimethylamino)phenoxy]-N-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-[3-(dimethylamino)phenoxy]-N-methylpyrimidin-4-amine (CID 80966422) is 2-cyclopropyl-6-[3-(dimethylamino)phenoxy]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-[3-(dimethylamino)phenoxy]-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-[3-(dimethylamino)phenoxy]-N-methylpyrimidin-4-amine is CNc1cc(Oc2cccc(N(C)C)c2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-[3-(dimethylamino)phenoxy]-N-methylpyrimidin-4-amine?
The InChIKey is WZFKHEIJJYZYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-17-14-10-15(19-16(18-14)11-7-8-11)21-13-6-4-5-12(9-13)20(2)3/h4-6,9-11H,7-8H2,1-3H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-6-[3-(dimethylamino)phenoxy]-N-methylpyrimidin-4-amine?
2-cyclopropyl-6-[3-(dimethylamino)phenoxy]-N-methylpyrimidin-4-amine has a molecular weight of 284.36 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[3-(dimethylamino)phenoxy]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80966422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).