4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-amine

C10H13F2N3O — CID 164908239

IUPAC4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-amine
SMILESCOc1nc(N)nc(C2CC2)c1CC(F)F
InChIInChI=1S/C10H13F2N3O/c1-16-9-6(4-7(11)12)8(5-2-3-5)14-10(13)15-9/h5,7H,2-4H2,1H3,(H2,13,14,15)
InChIKeyWSXIZDAPOCRRCD-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.75
Rot. Bonds4

About 4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-amine

4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-amine (PubChem CID 164908239) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is 4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-amine
PubChem CID164908239
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-amine
SMILESCOc1nc(N)nc(C2CC2)c1CC(F)F
InChIInChI=1S/C10H13F2N3O/c1-16-9-6(4-7(11)12)8(5-2-3-5)14-10(13)15-9/h5,7H,2-4H2,1H3,(H2,13,14,15)
InChIKeyWSXIZDAPOCRRCD-UHFFFAOYSA-N
XLogP1.75
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-amine?
The IUPAC name of 4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-amine (CID 164908239) is 4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-amine.
What is the SMILES notation for 4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-amine?
The canonical SMILES for 4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-amine is COc1nc(N)nc(C2CC2)c1CC(F)F.
What is the InChIKey of 4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-amine?
The InChIKey is WSXIZDAPOCRRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O/c1-16-9-6(4-7(11)12)8(5-2-3-5)14-10(13)15-9/h5,7H,2-4H2,1H3,(H2,13,14,15).
What are the key properties of 4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-amine?
4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-amine has a molecular weight of 229.23 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-amine is sourced from PubChem (CID 164908239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).