2-cyclopropyl-6-phenoxypyrimidin-4-amine

C13H13N3O — CID 80965794

IUPAC2-cyclopropyl-6-phenoxypyrimidin-4-amine
SMILESNc1cc(Oc2ccccc2)nc(C2CC2)n1
InChIInChI=1S/C13H13N3O/c14-11-8-12(16-13(15-11)9-6-7-9)17-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,14,15,16)
InChIKeyMHNQTNYLQGYWRP-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.73
Rot. Bonds3

About 2-cyclopropyl-6-phenoxypyrimidin-4-amine

2-cyclopropyl-6-phenoxypyrimidin-4-amine (PubChem CID 80965794) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-cyclopropyl-6-phenoxypyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-phenoxypyrimidin-4-amine
PubChem CID80965794
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-cyclopropyl-6-phenoxypyrimidin-4-amine
SMILESNc1cc(Oc2ccccc2)nc(C2CC2)n1
InChIInChI=1S/C13H13N3O/c14-11-8-12(16-13(15-11)9-6-7-9)17-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,14,15,16)
InChIKeyMHNQTNYLQGYWRP-UHFFFAOYSA-N
XLogP2.73
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-6-(4-fluorophenoxy)pyrimidin-4-amine
CID 80966558
3-(6-amino-2-cyclopropylpyrimidin-4-yl)oxybenzonitrile
CID 80965784
2-cyclopropyl-6-(4-propoxyphenoxy)pyrimidin-4-amine
CID 80966516
2-cyclopropyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80965952
2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine
CID 80965576
6-phenoxy-2-phenylpyrimidin-4-amine
CID 115915894
2-cyclopropyl-6-(3-fluoro-4-nitrophenoxy)pyrimidin-4-amine
CID 80965208
6-(2-bromo-4-chlorophenoxy)-2-cyclopropylpyrimidin-4-amine
CID 80965409
2-cyclopropyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine
CID 80961915
2-cyclopropyl-6-propoxypyrimidin-4-amine
CID 80965669
[2-cyclopropyl-6-(3-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 80969262
4-chloro-2-cyclopropyl-6-(4-methoxyphenoxy)pyrimidine
CID 80948365

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-phenoxypyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-phenoxypyrimidin-4-amine (CID 80965794) is 2-cyclopropyl-6-phenoxypyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-phenoxypyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-phenoxypyrimidin-4-amine is Nc1cc(Oc2ccccc2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-phenoxypyrimidin-4-amine?
The InChIKey is MHNQTNYLQGYWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c14-11-8-12(16-13(15-11)9-6-7-9)17-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,14,15,16).
What are the key properties of 2-cyclopropyl-6-phenoxypyrimidin-4-amine?
2-cyclopropyl-6-phenoxypyrimidin-4-amine has a molecular weight of 227.27 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-phenoxypyrimidin-4-amine is sourced from PubChem (CID 80965794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).