6-(4-chloro-3-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine

C15H16ClN3O — CID 80989341

IUPAC6-(4-chloro-3-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1cc(Oc2nc(C3CC3)nc(N)c2C)ccc1Cl
InChIInChI=1S/C15H16ClN3O/c1-8-7-11(5-6-12(8)16)20-15-9(2)13(17)18-14(19-15)10-3-4-10/h5-7,10H,3-4H2,1-2H3,(H2,17,18,19)
InChIKeyCFYRTVSEOKEENZ-UHFFFAOYSA-N
MW289.77 g/mol
LogP4.00
Rot. Bonds3

About 6-(4-chloro-3-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine

6-(4-chloro-3-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine (PubChem CID 80989341) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 6-(4-chloro-3-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-3-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
PubChem CID80989341
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name6-(4-chloro-3-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1cc(Oc2nc(C3CC3)nc(N)c2C)ccc1Cl
InChIInChI=1S/C15H16ClN3O/c1-8-7-11(5-6-12(8)16)20-15-9(2)13(17)18-14(19-15)10-3-4-10/h5-7,10H,3-4H2,1-2H3,(H2,17,18,19)
InChIKeyCFYRTVSEOKEENZ-UHFFFAOYSA-N
XLogP4.00
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80990831
2-cyclopropyl-6-(3-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 80988620
6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80988356
2-cyclopropyl-6-(4-ethylphenoxy)-5-methylpyrimidin-4-amine
CID 80989231
[4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol
CID 80990139
2-cyclopropyl-6-(2,5-dimethylphenoxy)-5-methylpyrimidin-4-amine
CID 80988869
[6-(3-chlorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 81001078
4-chloro-2-cyclopropyl-6-(2,3-dihydro-1H-inden-5-yloxy)-5-methylpyrimidine
CID 80973259
4-chloro-2-cyclopropyl-6-(3,5-difluorophenoxy)-5-methylpyrimidine
CID 80974330
4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxybenzonitrile
CID 80974217
2-cyclopropyl-6-(3,4-dichlorophenyl)-5-methylpyrimidin-4-amine
CID 80975439
[2-cyclopropyl-5-methyl-6-(4-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 81000617

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-3-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine (CID 80989341) is 6-(4-chloro-3-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-3-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-3-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine is Cc1cc(Oc2nc(C3CC3)nc(N)c2C)ccc1Cl.
What is the InChIKey of 6-(4-chloro-3-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine?
The InChIKey is CFYRTVSEOKEENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-8-7-11(5-6-12(8)16)20-15-9(2)13(17)18-14(19-15)10-3-4-10/h5-7,10H,3-4H2,1-2H3,(H2,17,18,19).
What are the key properties of 6-(4-chloro-3-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine?
6-(4-chloro-3-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine has a molecular weight of 289.77 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80989341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).