5-[2,6-bis[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-4-(difluoromethyl)pyrimidin-2-amine

C19H25F2N7O2 — CID 172744621

IUPAC5-[2,6-bis[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-4-(difluoromethyl)pyrimidin-2-amine
SMILESC[C@H]1CN(c2cc(-c3cnc(N)nc3C(F)F)nc(N3CCO[C@@H](C)C3)n2)CCO1
InChIInChI=1S/C19H25F2N7O2/c1-11-9-27(3-5-29-11)15-7-14(13-8-23-18(22)26-16(13)17(20)21)24-19(25-15)28-4-6-30-12(2)10-28/h7-8,11-12,17H,3-6,9-10H2,1-2H3,(H2,22,23,26)/t11-,12-/m0/s1
InChIKeyJOBPAANZNWNKEJ-RYUDHWBXSA-N
MW421.45 g/mol
LogP1.90
Rot. Bonds4

About 5-[2,6-bis[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-4-(difluoromethyl)pyrimidin-2-amine

5-[2,6-bis[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-4-(difluoromethyl)pyrimidin-2-amine (PubChem CID 172744621) has the molecular formula C19H25F2N7O2 and a molecular weight of 421.45 g/mol. Its IUPAC name is 5-[2,6-bis[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-4-(difluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2,6-bis[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-4-(difluoromethyl)pyrimidin-2-amine
PubChem CID172744621
Molecular FormulaC19H25F2N7O2
Molecular Weight421.45 g/mol
Exact Mass421.20
IUPAC Name5-[2,6-bis[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-4-(difluoromethyl)pyrimidin-2-amine
SMILESC[C@H]1CN(c2cc(-c3cnc(N)nc3C(F)F)nc(N3CCO[C@@H](C)C3)n2)CCO1
InChIInChI=1S/C19H25F2N7O2/c1-11-9-27(3-5-29-11)15-7-14(13-8-23-18(22)26-16(13)17(20)21)24-19(25-15)28-4-6-30-12(2)10-28/h7-8,11-12,17H,3-6,9-10H2,1-2H3,(H2,22,23,26)/t11-,12-/m0/s1
InChIKeyJOBPAANZNWNKEJ-RYUDHWBXSA-N
XLogP1.90
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[2,6-bis[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-4-(difluoromethyl)pyrimidin-2-amine?
The IUPAC name of 5-[2,6-bis[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-4-(difluoromethyl)pyrimidin-2-amine (CID 172744621) is 5-[2,6-bis[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-4-(difluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[2,6-bis[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-4-(difluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 5-[2,6-bis[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-4-(difluoromethyl)pyrimidin-2-amine is C[C@H]1CN(c2cc(-c3cnc(N)nc3C(F)F)nc(N3CCO[C@@H](C)C3)n2)CCO1.
What is the InChIKey of 5-[2,6-bis[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-4-(difluoromethyl)pyrimidin-2-amine?
The InChIKey is JOBPAANZNWNKEJ-RYUDHWBXSA-N. The full InChI is InChI=1S/C19H25F2N7O2/c1-11-9-27(3-5-29-11)15-7-14(13-8-23-18(22)26-16(13)17(20)21)24-19(25-15)28-4-6-30-12(2)10-28/h7-8,11-12,17H,3-6,9-10H2,1-2H3,(H2,22,23,26)/t11-,12-/m0/s1.
What are the key properties of 5-[2,6-bis[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-4-(difluoromethyl)pyrimidin-2-amine?
5-[2,6-bis[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-4-(difluoromethyl)pyrimidin-2-amine has a molecular weight of 421.45 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-bis[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-4-(difluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 172744621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).