1-[4-(difluoromethyl)-2-(oxolan-3-yl)pyrimidin-5-yl]-N-methylmethanamine

C11H15F2N3O — CID 114206933

IUPAC1-[4-(difluoromethyl)-2-(oxolan-3-yl)pyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(C2CCOC2)nc1C(F)F
InChIInChI=1S/C11H15F2N3O/c1-14-4-8-5-15-11(7-2-3-17-6-7)16-9(8)10(12)13/h5,7,10,14H,2-4,6H2,1H3
InChIKeyHAVFLUXHPJVRMX-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.64
Rot. Bonds4

About 1-[4-(difluoromethyl)-2-(oxolan-3-yl)pyrimidin-5-yl]-N-methylmethanamine

1-[4-(difluoromethyl)-2-(oxolan-3-yl)pyrimidin-5-yl]-N-methylmethanamine (PubChem CID 114206933) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)-2-(oxolan-3-yl)pyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(difluoromethyl)-2-(oxolan-3-yl)pyrimidin-5-yl]-N-methylmethanamine
PubChem CID114206933
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name1-[4-(difluoromethyl)-2-(oxolan-3-yl)pyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(C2CCOC2)nc1C(F)F
InChIInChI=1S/C11H15F2N3O/c1-14-4-8-5-15-11(7-2-3-17-6-7)16-9(8)10(12)13/h5,7,10,14H,2-4,6H2,1H3
InChIKeyHAVFLUXHPJVRMX-UHFFFAOYSA-N
XLogP1.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)-2-(oxolan-3-yl)pyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(difluoromethyl)-2-(oxolan-3-yl)pyrimidin-5-yl]-N-methylmethanamine (CID 114206933) is 1-[4-(difluoromethyl)-2-(oxolan-3-yl)pyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(difluoromethyl)-2-(oxolan-3-yl)pyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(difluoromethyl)-2-(oxolan-3-yl)pyrimidin-5-yl]-N-methylmethanamine is CNCc1cnc(C2CCOC2)nc1C(F)F.
What is the InChIKey of 1-[4-(difluoromethyl)-2-(oxolan-3-yl)pyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is HAVFLUXHPJVRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O/c1-14-4-8-5-15-11(7-2-3-17-6-7)16-9(8)10(12)13/h5,7,10,14H,2-4,6H2,1H3.
What are the key properties of 1-[4-(difluoromethyl)-2-(oxolan-3-yl)pyrimidin-5-yl]-N-methylmethanamine?
1-[4-(difluoromethyl)-2-(oxolan-3-yl)pyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 243.26 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)-2-(oxolan-3-yl)pyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114206933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).