4-[2-(difluoromethyl)-2-methylmorpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine

C14H20F2N4O — CID 155952561

IUPAC4-[2-(difluoromethyl)-2-methylmorpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCC1(C(F)F)CN(c2nc(N)nc3c2CCCC3)CCO1
InChIInChI=1S/C14H20F2N4O/c1-14(12(15)16)8-20(6-7-21-14)11-9-4-2-3-5-10(9)18-13(17)19-11/h12H,2-8H2,1H3,(H2,17,18,19)
InChIKeyQDISMIVMMPOFRZ-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.80
Rot. Bonds2

About 4-[2-(difluoromethyl)-2-methylmorpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine

4-[2-(difluoromethyl)-2-methylmorpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 155952561) has the molecular formula C14H20F2N4O and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)-2-methylmorpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name4-[2-(difluoromethyl)-2-methylmorpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID155952561
Molecular FormulaC14H20F2N4O
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name4-[2-(difluoromethyl)-2-methylmorpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCC1(C(F)F)CN(c2nc(N)nc3c2CCCC3)CCO1
InChIInChI=1S/C14H20F2N4O/c1-14(12(15)16)8-20(6-7-21-14)11-9-4-2-3-5-10(9)18-13(17)19-11/h12H,2-8H2,1H3,(H2,17,18,19)
InChIKeyQDISMIVMMPOFRZ-UHFFFAOYSA-N
XLogP1.80
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethyl)-2-methylmorpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 4-[2-(difluoromethyl)-2-methylmorpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine (CID 155952561) is 4-[2-(difluoromethyl)-2-methylmorpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 4-[2-(difluoromethyl)-2-methylmorpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 4-[2-(difluoromethyl)-2-methylmorpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine is CC1(C(F)F)CN(c2nc(N)nc3c2CCCC3)CCO1.
What is the InChIKey of 4-[2-(difluoromethyl)-2-methylmorpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is QDISMIVMMPOFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O/c1-14(12(15)16)8-20(6-7-21-14)11-9-4-2-3-5-10(9)18-13(17)19-11/h12H,2-8H2,1H3,(H2,17,18,19).
What are the key properties of 4-[2-(difluoromethyl)-2-methylmorpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
4-[2-(difluoromethyl)-2-methylmorpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 298.34 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethyl)-2-methylmorpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 155952561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).