[4-(difluoromethyl)-2-(1-ethoxypropyl)pyrimidin-5-yl]methanamine

C11H17F2N3O — CID 114206156

IUPAC[4-(difluoromethyl)-2-(1-ethoxypropyl)pyrimidin-5-yl]methanamine
SMILESCCOC(CC)c1ncc(CN)c(C(F)F)n1
InChIInChI=1S/C11H17F2N3O/c1-3-8(17-4-2)11-15-6-7(5-14)9(16-11)10(12)13/h6,8,10H,3-5,14H2,1-2H3
InChIKeyJHGNSZHQSRMHCM-UHFFFAOYSA-N
MW245.27 g/mol
LogP2.36
Rot. Bonds6

About [4-(difluoromethyl)-2-(1-ethoxypropyl)pyrimidin-5-yl]methanamine

[4-(difluoromethyl)-2-(1-ethoxypropyl)pyrimidin-5-yl]methanamine (PubChem CID 114206156) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is [4-(difluoromethyl)-2-(1-ethoxypropyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[4-(difluoromethyl)-2-(1-ethoxypropyl)pyrimidin-5-yl]methanamine
PubChem CID114206156
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name[4-(difluoromethyl)-2-(1-ethoxypropyl)pyrimidin-5-yl]methanamine
SMILESCCOC(CC)c1ncc(CN)c(C(F)F)n1
InChIInChI=1S/C11H17F2N3O/c1-3-8(17-4-2)11-15-6-7(5-14)9(16-11)10(12)13/h6,8,10H,3-5,14H2,1-2H3
InChIKeyJHGNSZHQSRMHCM-UHFFFAOYSA-N
XLogP2.36
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-2-(1-ethoxypropyl)pyrimidin-5-yl]methanamine?
The IUPAC name of [4-(difluoromethyl)-2-(1-ethoxypropyl)pyrimidin-5-yl]methanamine (CID 114206156) is [4-(difluoromethyl)-2-(1-ethoxypropyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [4-(difluoromethyl)-2-(1-ethoxypropyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [4-(difluoromethyl)-2-(1-ethoxypropyl)pyrimidin-5-yl]methanamine is CCOC(CC)c1ncc(CN)c(C(F)F)n1.
What is the InChIKey of [4-(difluoromethyl)-2-(1-ethoxypropyl)pyrimidin-5-yl]methanamine?
The InChIKey is JHGNSZHQSRMHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c1-3-8(17-4-2)11-15-6-7(5-14)9(16-11)10(12)13/h6,8,10H,3-5,14H2,1-2H3.
What are the key properties of [4-(difluoromethyl)-2-(1-ethoxypropyl)pyrimidin-5-yl]methanamine?
[4-(difluoromethyl)-2-(1-ethoxypropyl)pyrimidin-5-yl]methanamine has a molecular weight of 245.27 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-2-(1-ethoxypropyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 114206156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).