2-cyclopropyl-N-(3,3-difluorocyclobutyl)pyrimidin-4-amine

C11H13F2N3 — CID 126787185

IUPAC2-cyclopropyl-N-(3,3-difluorocyclobutyl)pyrimidin-4-amine
SMILESFC1(F)CC(Nc2ccnc(C3CC3)n2)C1
InChIInChI=1S/C11H13F2N3/c12-11(13)5-8(6-11)15-9-3-4-14-10(16-9)7-1-2-7/h3-4,7-8H,1-2,5-6H2,(H,14,15,16)
InChIKeyGBDMIOQWSPCPTP-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.56
Rot. Bonds3

About 2-cyclopropyl-N-(3,3-difluorocyclobutyl)pyrimidin-4-amine

2-cyclopropyl-N-(3,3-difluorocyclobutyl)pyrimidin-4-amine (PubChem CID 126787185) has the molecular formula C11H13F2N3 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-cyclopropyl-N-(3,3-difluorocyclobutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(3,3-difluorocyclobutyl)pyrimidin-4-amine
PubChem CID126787185
Molecular FormulaC11H13F2N3
Molecular Weight225.24 g/mol
Exact Mass225.11
IUPAC Name2-cyclopropyl-N-(3,3-difluorocyclobutyl)pyrimidin-4-amine
SMILESFC1(F)CC(Nc2ccnc(C3CC3)n2)C1
InChIInChI=1S/C11H13F2N3/c12-11(13)5-8(6-11)15-9-3-4-14-10(16-9)7-1-2-7/h3-4,7-8H,1-2,5-6H2,(H,14,15,16)
InChIKeyGBDMIOQWSPCPTP-UHFFFAOYSA-N
XLogP2.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(3,3-difluorocyclobutyl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-(3,3-difluorocyclobutyl)pyrimidin-4-amine (CID 126787185) is 2-cyclopropyl-N-(3,3-difluorocyclobutyl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-(3,3-difluorocyclobutyl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-(3,3-difluorocyclobutyl)pyrimidin-4-amine is FC1(F)CC(Nc2ccnc(C3CC3)n2)C1.
What is the InChIKey of 2-cyclopropyl-N-(3,3-difluorocyclobutyl)pyrimidin-4-amine?
The InChIKey is GBDMIOQWSPCPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3/c12-11(13)5-8(6-11)15-9-3-4-14-10(16-9)7-1-2-7/h3-4,7-8H,1-2,5-6H2,(H,14,15,16).
What are the key properties of 2-cyclopropyl-N-(3,3-difluorocyclobutyl)pyrimidin-4-amine?
2-cyclopropyl-N-(3,3-difluorocyclobutyl)pyrimidin-4-amine has a molecular weight of 225.24 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(3,3-difluorocyclobutyl)pyrimidin-4-amine is sourced from PubChem (CID 126787185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).