4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine

C18H22F2N6O2 — CID 121334444

IUPAC4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine
SMILESNc1cc(C(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C18H22F2N6O2/c19-17(20)12-9-15(21)22-11-13(12)14-10-16(25-1-5-27-6-2-25)24-18(23-14)26-3-7-28-8-4-26/h9-11,17H,1-8H2,(H2,21,22)
InChIKeyDCGZTZWBJOGYMQ-UHFFFAOYSA-N
MW392.41 g/mol
LogP1.73
Rot. Bonds4

About 4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine

4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine (PubChem CID 121334444) has the molecular formula C18H22F2N6O2 and a molecular weight of 392.41 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine
PubChem CID121334444
Molecular FormulaC18H22F2N6O2
Molecular Weight392.41 g/mol
Exact Mass392.18
IUPAC Name4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine
SMILESNc1cc(C(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C18H22F2N6O2/c19-17(20)12-9-15(21)22-11-13(12)14-10-16(25-1-5-27-6-2-25)24-18(23-14)26-3-7-28-8-4-26/h9-11,17H,1-8H2,(H2,21,22)
InChIKeyDCGZTZWBJOGYMQ-UHFFFAOYSA-N
XLogP1.73
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine?
The IUPAC name of 4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine (CID 121334444) is 4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine is Nc1cc(C(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine?
The InChIKey is DCGZTZWBJOGYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N6O2/c19-17(20)12-9-15(21)22-11-13(12)14-10-16(25-1-5-27-6-2-25)24-18(23-14)26-3-7-28-8-4-26/h9-11,17H,1-8H2,(H2,21,22).
What are the key properties of 4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine?
4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine has a molecular weight of 392.41 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine is sourced from PubChem (CID 121334444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).