(2R)-4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine

C19H22F3N7O — CID 157044346

IUPAC(2R)-4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
SMILESCc1nc2nc(N3CCO[C@H](c4cnn(C)c4)C3)nc(CCC(F)(F)F)c2nc1C
InChIInChI=1S/C19H22F3N7O/c1-11-12(2)25-17-16(24-11)14(4-5-19(20,21)22)26-18(27-17)29-6-7-30-15(10-29)13-8-23-28(3)9-13/h8-9,15H,4-7,10H2,1-3H3/t15-/m0/s1
InChIKeyLUTYEVWYRFNZHT-HNNXBMFYSA-N
MW421.43 g/mol
LogP2.84
Rot. Bonds4

About (2R)-4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine

(2R)-4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 157044346) has the molecular formula C19H22F3N7O and a molecular weight of 421.43 g/mol. Its IUPAC name is (2R)-4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID157044346
Molecular FormulaC19H22F3N7O
Molecular Weight421.43 g/mol
Exact Mass421.18
IUPAC Name(2R)-4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
SMILESCc1nc2nc(N3CCO[C@H](c4cnn(C)c4)C3)nc(CCC(F)(F)F)c2nc1C
InChIInChI=1S/C19H22F3N7O/c1-11-12(2)25-17-16(24-11)14(4-5-19(20,21)22)26-18(27-17)29-6-7-30-15(10-29)13-8-23-28(3)9-13/h8-9,15H,4-7,10H2,1-3H3/t15-/m0/s1
InChIKeyLUTYEVWYRFNZHT-HNNXBMFYSA-N
XLogP2.84
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of (2R)-4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine (CID 157044346) is (2R)-4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for (2R)-4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for (2R)-4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine is Cc1nc2nc(N3CCO[C@H](c4cnn(C)c4)C3)nc(CCC(F)(F)F)c2nc1C.
What is the InChIKey of (2R)-4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is LUTYEVWYRFNZHT-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22F3N7O/c1-11-12(2)25-17-16(24-11)14(4-5-19(20,21)22)26-18(27-17)29-6-7-30-15(10-29)13-8-23-28(3)9-13/h8-9,15H,4-7,10H2,1-3H3/t15-/m0/s1.
What are the key properties of (2R)-4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
(2R)-4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 421.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 157044346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).