4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine

C18H23F2N7O2 — CID 121334370

IUPAC4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
SMILESC[C@H]1COCCN1c1cc(-c2cnc(N)nc2C(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C18H23F2N7O2/c1-11-10-29-7-4-27(11)14-8-13(12-9-22-17(21)25-15(12)16(19)20)23-18(24-14)26-2-5-28-6-3-26/h8-9,11,16H,2-7,10H2,1H3,(H2,21,22,25)/t11-/m0/s1
InChIKeyLXZMFTCTPCSIJD-NSHDSACASA-N
MW407.43 g/mol
LogP1.52
Rot. Bonds4

About 4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine

4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine (PubChem CID 121334370) has the molecular formula C18H23F2N7O2 and a molecular weight of 407.43 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
PubChem CID121334370
Molecular FormulaC18H23F2N7O2
Molecular Weight407.43 g/mol
Exact Mass407.19
IUPAC Name4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
SMILESC[C@H]1COCCN1c1cc(-c2cnc(N)nc2C(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C18H23F2N7O2/c1-11-10-29-7-4-27(11)14-8-13(12-9-22-17(21)25-15(12)16(19)20)23-18(24-14)26-2-5-28-6-3-26/h8-9,11,16H,2-7,10H2,1H3,(H2,21,22,25)/t11-/m0/s1
InChIKeyLXZMFTCTPCSIJD-NSHDSACASA-N
XLogP1.52
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine (CID 121334370) is 4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine is C[C@H]1COCCN1c1cc(-c2cnc(N)nc2C(F)F)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine?
The InChIKey is LXZMFTCTPCSIJD-NSHDSACASA-N. The full InChI is InChI=1S/C18H23F2N7O2/c1-11-10-29-7-4-27(11)14-8-13(12-9-22-17(21)25-15(12)16(19)20)23-18(24-14)26-2-5-28-6-3-26/h8-9,11,16H,2-7,10H2,1H3,(H2,21,22,25)/t11-/m0/s1.
What are the key properties of 4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine?
4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine has a molecular weight of 407.43 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 121334370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).