2-cyclopropyl-6-(2,3-dimethylphenoxy)-N,5-dimethylpyrimidin-4-amine

C17H21N3O — CID 80988724

IUPAC2-cyclopropyl-6-(2,3-dimethylphenoxy)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C2CC2)nc(Oc2cccc(C)c2C)c1C
InChIInChI=1S/C17H21N3O/c1-10-6-5-7-14(11(10)2)21-17-12(3)15(18-4)19-16(20-17)13-8-9-13/h5-7,13H,8-9H2,1-4H3,(H,18,19,20)
InChIKeyRUFQZJNBQUUOTH-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.11
Rot. Bonds4

About 2-cyclopropyl-6-(2,3-dimethylphenoxy)-N,5-dimethylpyrimidin-4-amine

2-cyclopropyl-6-(2,3-dimethylphenoxy)-N,5-dimethylpyrimidin-4-amine (PubChem CID 80988724) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2,3-dimethylphenoxy)-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(2,3-dimethylphenoxy)-N,5-dimethylpyrimidin-4-amine
PubChem CID80988724
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-cyclopropyl-6-(2,3-dimethylphenoxy)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C2CC2)nc(Oc2cccc(C)c2C)c1C
InChIInChI=1S/C17H21N3O/c1-10-6-5-7-14(11(10)2)21-17-12(3)15(18-4)19-16(20-17)13-8-9-13/h5-7,13H,8-9H2,1-4H3,(H,18,19,20)
InChIKeyRUFQZJNBQUUOTH-UHFFFAOYSA-N
XLogP4.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80988463
6-(3-bromophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 80988395
6-(5-bromo-2-chlorophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 80990914
2-cyclopropyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
CID 80988574
6-[(5-bromo-3-pyridinyl)oxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 80990278
2-cyclopropyl-N,5-dimethyl-6-pentoxypyrimidin-4-amine
CID 80988065
2-cyclopropyl-N,5-dimethyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80990031
6-[(2-chlorophenyl)methoxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 80989714
[6-(5-chloro-2-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 81000980
[6-(3-chlorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 81001078
6-(2,3-dimethylphenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80864818
[2-cyclopropyl-5-methyl-6-(4-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 81000617

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(2,3-dimethylphenoxy)-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(2,3-dimethylphenoxy)-N,5-dimethylpyrimidin-4-amine (CID 80988724) is 2-cyclopropyl-6-(2,3-dimethylphenoxy)-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(2,3-dimethylphenoxy)-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(2,3-dimethylphenoxy)-N,5-dimethylpyrimidin-4-amine is CNc1nc(C2CC2)nc(Oc2cccc(C)c2C)c1C.
What is the InChIKey of 2-cyclopropyl-6-(2,3-dimethylphenoxy)-N,5-dimethylpyrimidin-4-amine?
The InChIKey is RUFQZJNBQUUOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-10-6-5-7-14(11(10)2)21-17-12(3)15(18-4)19-16(20-17)13-8-9-13/h5-7,13H,8-9H2,1-4H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-6-(2,3-dimethylphenoxy)-N,5-dimethylpyrimidin-4-amine?
2-cyclopropyl-6-(2,3-dimethylphenoxy)-N,5-dimethylpyrimidin-4-amine has a molecular weight of 283.38 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2,3-dimethylphenoxy)-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80988724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).