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

C16H19N3O2 — CID 80965780

IUPAC2-cyclopropyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine
SMILESCNc1cc(Oc2cccc(COC)c2)nc(C2CC2)n1
InChIInChI=1S/C16H19N3O2/c1-17-14-9-15(19-16(18-14)12-6-7-12)21-13-5-3-4-11(8-13)10-20-2/h3-5,8-9,12H,6-7,10H2,1-2H3,(H,17,18,19)
InChIKeyYUIWVXKLFMNZIN-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.33
Rot. Bonds6

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

2-cyclopropyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine (PubChem CID 80965780) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-cyclopropyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine
PubChem CID80965780
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-cyclopropyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine
SMILESCNc1cc(Oc2cccc(COC)c2)nc(C2CC2)n1
InChIInChI=1S/C16H19N3O2/c1-17-14-9-15(19-16(18-14)12-6-7-12)21-13-5-3-4-11(8-13)10-20-2/h3-5,8-9,12H,6-7,10H2,1-2H3,(H,17,18,19)
InChIKeyYUIWVXKLFMNZIN-UHFFFAOYSA-N
XLogP3.33
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(methoxymethyl)phenoxy]-N-methylpyridin-2-amine
CID 80876349
2-cyclopropyl-6-[3-(dimethylamino)phenoxy]-N-methylpyrimidin-4-amine
CID 80966422
3-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80965882
[3-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80966723
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-bromophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965597
6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 116691215
4-chloro-6-[3-(methoxymethyl)phenoxy]-2-methylpyrimidine
CID 63986769
6-[(5-chloro-3-pyridinyl)oxy]-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 80963096
2-cyclopropyl-N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
CID 80965737

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine (CID 80965780) is 2-cyclopropyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine is CNc1cc(Oc2cccc(COC)c2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine?
The InChIKey is YUIWVXKLFMNZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-17-14-9-15(19-16(18-14)12-6-7-12)21-13-5-3-4-11(8-13)10-20-2/h3-5,8-9,12H,6-7,10H2,1-2H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine?
2-cyclopropyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine has a molecular weight of 285.35 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80965780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).