6-oxo-2-pyrimidin-2-yl-N-[(1R)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-diazinane-4-carboxamide

C20H20F3N5O2 — CID 139268356

IUPAC6-oxo-2-pyrimidin-2-yl-N-[(1R)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-diazinane-4-carboxamide
SMILESO=C1CC(C(=O)N[C@@H]2CCCc3cc(C(F)(F)F)ccc32)NC(c2ncccn2)N1
InChIInChI=1S/C20H20F3N5O2/c21-20(22,23)12-5-6-13-11(9-12)3-1-4-14(13)27-19(30)15-10-16(29)28-18(26-15)17-24-7-2-8-25-17/h2,5-9,14-15,18,26H,1,3-4,10H2,(H,27,30)(H,28,29)/t14-,15?,18?/m1/s1
InChIKeyYZEARFXIWORAPE-KSTDHSDQSA-N
MW419.41 g/mol
LogP2.17
Rot. Bonds3

About 6-oxo-2-pyrimidin-2-yl-N-[(1R)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-diazinane-4-carboxamide

6-oxo-2-pyrimidin-2-yl-N-[(1R)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-diazinane-4-carboxamide (PubChem CID 139268356) has the molecular formula C20H20F3N5O2 and a molecular weight of 419.41 g/mol. Its IUPAC name is 6-oxo-2-pyrimidin-2-yl-N-[(1R)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound Name6-oxo-2-pyrimidin-2-yl-N-[(1R)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-diazinane-4-carboxamide
PubChem CID139268356
Molecular FormulaC20H20F3N5O2
Molecular Weight419.41 g/mol
Exact Mass419.16
IUPAC Name6-oxo-2-pyrimidin-2-yl-N-[(1R)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-diazinane-4-carboxamide
SMILESO=C1CC(C(=O)N[C@@H]2CCCc3cc(C(F)(F)F)ccc32)NC(c2ncccn2)N1
InChIInChI=1S/C20H20F3N5O2/c21-20(22,23)12-5-6-13-11(9-12)3-1-4-14(13)27-19(30)15-10-16(29)28-18(26-15)17-24-7-2-8-25-17/h2,5-9,14-15,18,26H,1,3-4,10H2,(H,27,30)(H,28,29)/t14-,15?,18?/m1/s1
InChIKeyYZEARFXIWORAPE-KSTDHSDQSA-N
XLogP2.17
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-pyrimidin-2-yl-N-[(1R)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-diazinane-4-carboxamide?
The IUPAC name of 6-oxo-2-pyrimidin-2-yl-N-[(1R)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-diazinane-4-carboxamide (CID 139268356) is 6-oxo-2-pyrimidin-2-yl-N-[(1R)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-diazinane-4-carboxamide.
What is the SMILES notation for 6-oxo-2-pyrimidin-2-yl-N-[(1R)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-diazinane-4-carboxamide?
The canonical SMILES for 6-oxo-2-pyrimidin-2-yl-N-[(1R)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-diazinane-4-carboxamide is O=C1CC(C(=O)N[C@@H]2CCCc3cc(C(F)(F)F)ccc32)NC(c2ncccn2)N1.
What is the InChIKey of 6-oxo-2-pyrimidin-2-yl-N-[(1R)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-diazinane-4-carboxamide?
The InChIKey is YZEARFXIWORAPE-KSTDHSDQSA-N. The full InChI is InChI=1S/C20H20F3N5O2/c21-20(22,23)12-5-6-13-11(9-12)3-1-4-14(13)27-19(30)15-10-16(29)28-18(26-15)17-24-7-2-8-25-17/h2,5-9,14-15,18,26H,1,3-4,10H2,(H,27,30)(H,28,29)/t14-,15?,18?/m1/s1.
What are the key properties of 6-oxo-2-pyrimidin-2-yl-N-[(1R)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-diazinane-4-carboxamide?
6-oxo-2-pyrimidin-2-yl-N-[(1R)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-diazinane-4-carboxamide has a molecular weight of 419.41 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-pyrimidin-2-yl-N-[(1R)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).