[5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methoxy-2-pyridinyl]-morpholin-4-ylmethanone

C18H21F3N6O3 — CID 71451849

IUPAC[5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methoxy-2-pyridinyl]-morpholin-4-ylmethanone
SMILESCCNc1nc(Nc2cnc(C(=O)N3CCOCC3)cc2OC)ncc1C(F)(F)F
InChIInChI=1S/C18H21F3N6O3/c1-3-22-15-11(18(19,20)21)9-24-17(26-15)25-13-10-23-12(8-14(13)29-2)16(28)27-4-6-30-7-5-27/h8-10H,3-7H2,1-2H3,(H2,22,24,25,26)
InChIKeyXKJJSUJBECZQEP-UHFFFAOYSA-N
MW426.40 g/mol
LogP2.55
Rot. Bonds6

About [5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methoxy-2-pyridinyl]-morpholin-4-ylmethanone

[5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methoxy-2-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 71451849) has the molecular formula C18H21F3N6O3 and a molecular weight of 426.40 g/mol. Its IUPAC name is [5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methoxy-2-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methoxy-2-pyridinyl]-morpholin-4-ylmethanone
PubChem CID71451849
Molecular FormulaC18H21F3N6O3
Molecular Weight426.40 g/mol
Exact Mass426.16
IUPAC Name[5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methoxy-2-pyridinyl]-morpholin-4-ylmethanone
SMILESCCNc1nc(Nc2cnc(C(=O)N3CCOCC3)cc2OC)ncc1C(F)(F)F
InChIInChI=1S/C18H21F3N6O3/c1-3-22-15-11(18(19,20)21)9-24-17(26-15)25-13-10-23-12(8-14(13)29-2)16(28)27-4-6-30-7-5-27/h8-10H,3-7H2,1-2H3,(H2,22,24,25,26)
InChIKeyXKJJSUJBECZQEP-UHFFFAOYSA-N
XLogP2.55
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methoxy-2-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methoxy-2-pyridinyl]-morpholin-4-ylmethanone (CID 71451849) is [5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methoxy-2-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methoxy-2-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methoxy-2-pyridinyl]-morpholin-4-ylmethanone is CCNc1nc(Nc2cnc(C(=O)N3CCOCC3)cc2OC)ncc1C(F)(F)F.
What is the InChIKey of [5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methoxy-2-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is XKJJSUJBECZQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N6O3/c1-3-22-15-11(18(19,20)21)9-24-17(26-15)25-13-10-23-12(8-14(13)29-2)16(28)27-4-6-30-7-5-27/h8-10H,3-7H2,1-2H3,(H2,22,24,25,26).
What are the key properties of [5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methoxy-2-pyridinyl]-morpholin-4-ylmethanone?
[5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methoxy-2-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 426.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methoxy-2-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 71451849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).